CID 62678510

4-fluoro-1h-1,3-benzodiazol-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

151.05458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06186 125.0
[M+Na]+ 174.04380 136.5
[M-H]- 150.04730 125.0
[M+NH4]+ 169.08840 145.8
[M+K]+ 190.01774 132.2
[M+H-H2O]+ 134.05184 117.8
[M+HCOO]- 196.05278 147.7
[M+CH3COO]- 210.06843 139.0
[M+Na-2H]- 172.02925 133.0
[M]+ 151.05403 122.5
[M]- 151.05513 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

No literature data available for this compound.

Patent stripe

patents stripe