102206-52-0 (C14H11Cl2F10NO2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=N1)C(CO)(C(F)(F)F)C(F)(F)Cl)C(CO)(C(F)(F)F)C(F)(F)Cl

InChI

InChI=1S/C14H11Cl2F10NO2/c1-6-2-7(9(4-28,11(15,17)18)13(21,22)23)3-8(27-6)10(5-29,12(16,19)20)14(24,25)26/h2-3,28-29H,4-5H2,1H3

InChIKey

UMERTVLIOYXKRM-UHFFFAOYSA-N

Compound name

2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoropropan-1-ol

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]+	486.007976	189.3
[M+Na]+	507.989918	199.0
[M-H]-	483.993424	177.9
[M+NH4]+	503.034523	196.0
[M+K]+	523.963858	191.5
[M+H-H2O]+	467.997960	177.5
[M+HCOO]-	529.998901	180.1
[M+CH3COO]-	544.014551	227.4
[M+Na-2H]-	505.975366	192.7
[M]+	485.00015142	178.2
[M]-	485.00124858	178.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.007976

189.3

[M+Na]+

507.989918

199.0

[M-H]-

483.993424

177.9

[M+NH4]+

503.034523

196.0

[M+K]+

523.963858

191.5

[M+H-H2O]+

467.997960

177.5

[M+HCOO]-

529.998901

180.1

[M+CH3COO]-

544.014551

227.4

[M+Na-2H]-

505.975366

192.7

[M]+

485.00015142

178.2

[M]-

485.00124858

178.2

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

102206-52-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe