CID 24709944

2-[(2-fluorophenyl)methyl]-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C14H12FN3
SMILES
C1=CC=C(C(=C1)CC2=NC3=C(N2)C=C(C=C3)N)F
InChI
InChI=1S/C14H12FN3/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14/h1-6,8H,7,16H2,(H,17,18)
InChIKey
DCBDDOHZLAXHNC-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10153 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.108806 151.3
[M+Na]+ 264.090748 162.0
[M-H]- 240.094254 154.3
[M+NH4]+ 259.135353 168.2
[M+K]+ 280.064688 155.1
[M+H-H2O]+ 224.098790 142.3
[M+HCOO]- 286.099731 173.0
[M+CH3COO]- 300.115381 163.6
[M+Na-2H]- 262.076196 157.1
[M]+ 241.10098142 149.2
[M]- 241.10207858 149.2
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

No patent data available for this compound.