CID 3019305

Einecs 280-803-2

Structural Information

Molecular Formula
C14H12FN3
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)N
InChI
InChI=1S/C14H12FN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKey
XEARVXVLEKCISU-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

24
Patents

241.10153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.108806 151.3
[M+Na]+ 264.090748 162.5
[M-H]- 240.094254 155.6
[M+NH4]+ 259.135353 168.9
[M+K]+ 280.064688 156.4
[M+H-H2O]+ 224.098790 142.0
[M+HCOO]- 286.099731 174.5
[M+CH3COO]- 300.115381 164.2
[M+Na-2H]- 262.076196 157.5
[M]+ 241.10098142 151.0
[M]- 241.10207858 151.0
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