CID 43156578

1152623-73-8

Structural Information

Molecular Formula

C₆H₅Cl₂F₃N₂

SMILES

CN1C(=C(C(=N1)C(F)(F)F)CCl)Cl

InChI

InChI=1S/C6H5Cl2F3N2/c1-13-5(8)3(2-7)4(12-13)6(9,10)11/h2H2,1H3

InChIKey

YCZXEKXZNMMTDA-UHFFFAOYSA-N

Compound name

5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.9782 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

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]+	232.98548	138.7
[M+Na]+	254.96742	151.4
[M-H]-	230.97092	135.9
[M+NH4]+	250.01202	157.6
[M+K]+	270.94136	146.1
[M+H-H2O]+	214.97546	131.0
[M+HCOO]-	276.97640	147.6
[M+CH3COO]-	290.99205	187.7
[M+Na-2H]-	252.95287	141.6
[M]+	231.97765	138.7
[M]-	231.97875	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe