CID 2779577

175135-18-9

Structural Information

Molecular Formula

C₈H₄ClF₃N₂S

SMILES

C1=C(C=C(C2=C1NC(=S)N2)Cl)C(F)(F)F

InChI

InChI=1S/C8H4ClF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)

InChIKey

HPLKCIAVCNSXLZ-UHFFFAOYSA-N

Compound name

4-chloro-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 251.97359 Da
Monoisotopic Mass: 2.7
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]+	252.98087	147.5
[M+Na]+	274.96281	157.9
[M+NH4]+	270.00741	153.4
[M+K]+	290.93675	152.2
[M-H]-	250.96631	143.5
[M+Na-2H]-	272.94826	150.4
[M]+	251.97304	148.2
[M]-	251.97414	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe