CID 19017761

2-amino-5-fluorobenzimidazole

Structural Information

Molecular Formula
C7H6FN3
SMILES
C1=CC2=C(C=C1F)NC(=N2)N
InChI
InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKey
MKYGXXIXMHTQFA-UHFFFAOYSA-N
Compound name
6-fluoro-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

151.05458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.061856 125.0
[M+Na]+ 174.043798 136.5
[M-H]- 150.047304 125.0
[M+NH4]+ 169.088403 145.8
[M+K]+ 190.017738 132.2
[M+H-H2O]+ 134.051840 117.8
[M+HCOO]- 196.052781 147.7
[M+CH3COO]- 210.068431 139.0
[M+Na-2H]- 172.029246 133.0
[M]+ 151.05403142 122.5
[M]- 151.05512858 122.5
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