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

7
Patents

227.08588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09316 146.7
[M+Na]+ 250.07510 157.9
[M-H]- 226.07860 149.9
[M+NH4]+ 245.11970 164.2
[M+K]+ 266.04904 151.2
[M+H-H2O]+ 210.08314 137.9
[M+HCOO]- 272.08408 168.8
[M+CH3COO]- 286.09973 159.4
[M+Na-2H]- 248.06055 153.1
[M]+ 227.08533 144.3
[M]- 227.08643 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