CID 75356

2338-27-4

Structural Information

Molecular Formula
C8H2Cl3F3N2
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H2Cl3F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)
InChIKey
BXCSXZJKEJQDKS-UHFFFAOYSA-N
Compound name
4,5,6-trichloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

287.92355 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.93083 149.0
[M+Na]+ 310.91277 163.5
[M-H]- 286.91627 145.2
[M+NH4]+ 305.95737 166.2
[M+K]+ 326.88671 155.4
[M+H-H2O]+ 270.92081 141.8
[M+HCOO]- 332.92175 151.6
[M+CH3COO]- 346.93740 160.3
[M+Na-2H]- 308.89822 152.4
[M]+ 287.92300 149.2
[M]- 287.92410 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe