PubChemLite - Solatenol (C18H15Cl2F2N3O)

Structural Information

Molecular Formula

SMILES

CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC3=C2[C@@H]4CC[C@H]3C4=C(Cl)Cl

InChI

InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)/t9-,10+/m1/s1

InChIKey

CCCGEKHKTPTUHJ-ZJUUUORDSA-N

Compound name

N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	398.06331	193.6
[M+Na]+	420.04525	203.3
[M-H]-	396.04875	196.0
[M+NH4]+	415.08985	211.3
[M+K]+	436.01919	195.6
[M+H-H2O]+	380.05329	186.2
[M+HCOO]-	442.05423	199.7
[M+CH3COO]-	456.06988	202.5
[M+Na-2H]-	418.03070	187.1
[M]+	397.05548	195.1
[M]-	397.05658	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.06331

193.6

[M+Na]+

420.04525

203.3

[M-H]-

396.04875

196.0

[M+NH4]+

415.08985

211.3

[M+K]+

436.01919

195.6

[M+H-H2O]+

380.05329

186.2

[M+HCOO]-

442.05423

199.7

[M+CH3COO]-

456.06988

202.5

[M+Na-2H]-

418.03070

187.1

[M]+

397.05548

195.1

[M]-

397.05658

195.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Solatenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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