CID 23085635

863869-96-9

Structural Information

Molecular Formula
C13H10FN3
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)F
InChI
InChI=1S/C13H10FN3/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2,(H,16,17)
InChIKey
DMELUAJRVWGKHW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

227.08588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.093156 146.7
[M+Na]+ 250.075098 157.9
[M-H]- 226.078604 149.9
[M+NH4]+ 245.119703 164.2
[M+K]+ 266.049038 151.2
[M+H-H2O]+ 210.083140 137.9
[M+HCOO]- 272.084081 168.8
[M+CH3COO]- 286.099731 159.4
[M+Na-2H]- 248.060546 153.1
[M]+ 227.08533142 144.3
[M]- 227.08642858 144.3
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