CID 55959

89427-21-4

Structural Information

Molecular Formula
C9H5BrClF3N2
SMILES
CC1=C2C(=CC(=C1Cl)Br)NC(=N2)C(F)(F)F
InChI
InChI=1S/C9H5BrClF3N2/c1-3-6(11)4(10)2-5-7(3)16-8(15-5)9(12,13)14/h2H,1H3,(H,15,16)
InChIKey
NFHFENIYBYJBKZ-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.92767 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.93495 157.0
[M+Na]+ 334.91689 174.4
[M-H]- 310.92039 158.2
[M+NH4]+ 329.96149 177.0
[M+K]+ 350.89083 159.4
[M+H-H2O]+ 294.92493 155.6
[M+HCOO]- 356.92587 168.3
[M+CH3COO]- 370.94152 197.0
[M+Na-2H]- 332.90234 162.6
[M]+ 311.92712 175.1
[M]- 311.92822 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.