CID 130770627

1804051-51-1

Structural Information

Molecular Formula
C8H5BrF2N2
SMILES
C1=C(C=C2C(=C1C(F)F)N=CN2)Br
InChI
InChI=1S/C8H5BrF2N2/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-3,8H,(H,12,13)
InChIKey
JGKVWRDYRAZSFN-UHFFFAOYSA-N
Compound name
6-bromo-4-(difluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.96042 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96770 142.8
[M+Na]+ 268.94964 157.3
[M-H]- 244.95314 144.7
[M+NH4]+ 263.99424 163.8
[M+K]+ 284.92358 144.8
[M+H-H2O]+ 228.95768 141.2
[M+HCOO]- 290.95862 160.5
[M+CH3COO]- 304.97427 157.4
[M+Na-2H]- 266.93509 149.6
[M]+ 245.95987 159.3
[M]- 245.96097 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

No patent data available for this compound.