CID 118526212

1388046-59-0

Structural Information

Molecular Formula
C7H5BrFN3
SMILES
C1=C(C=C(C2=C1NC(=N2)N)F)Br
InChI
InChI=1S/C7H5BrFN3/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H3,10,11,12)
InChIKey
KHZDQUGQWXCTDI-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

228.96509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97237 137.9
[M+Na]+ 251.95431 152.9
[M-H]- 227.95781 140.9
[M+NH4]+ 246.99891 159.3
[M+K]+ 267.92825 140.0
[M+H-H2O]+ 211.96235 136.7
[M+HCOO]- 273.96329 158.1
[M+CH3COO]- 287.97894 153.1
[M+Na-2H]- 249.93976 145.7
[M]+ 228.96454 154.4
[M]- 228.96564 154.4
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