CID 64723539

1256956-70-3

Structural Information

Molecular Formula
C8H5BrF2N2
SMILES
C1=CC2=C(C=C1Br)NC(=N2)C(F)F
InChI
InChI=1S/C8H5BrF2N2/c9-4-1-2-5-6(3-4)13-8(12-5)7(10)11/h1-3,7H,(H,12,13)
InChIKey
DNVWMFVLIONESY-UHFFFAOYSA-N
Compound name
6-bromo-2-(difluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

245.96042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.967696 142.8
[M+Na]+ 268.949638 157.3
[M-H]- 244.953144 144.7
[M+NH4]+ 263.994243 163.8
[M+K]+ 284.923578 144.8
[M+H-H2O]+ 228.957680 141.2
[M+HCOO]- 290.958621 160.5
[M+CH3COO]- 304.974271 157.4
[M+Na-2H]- 266.935086 149.6
[M]+ 245.95987142 159.3
[M]- 245.96096858 159.3
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

patents stripe