CID 62945548

1423117-56-9

Structural Information

Molecular Formula
C14H12ClN3
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC(=C(C=C3)CN)Cl
InChI
InChI=1S/C14H12ClN3/c15-12-7-11(6-5-10(12)8-16)18-9-17-13-3-1-2-4-14(13)18/h1-7,9H,8,16H2
InChIKey
SAIPOSMOTFGKMF-UHFFFAOYSA-N
Compound name
[4-(benzimidazol-1-yl)-2-chlorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.07196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07924 155.4
[M+Na]+ 280.06118 172.3
[M+NH4]+ 275.10578 165.1
[M+K]+ 296.03512 164.8
[M-H]- 256.06468 160.6
[M+Na-2H]- 278.04663 165.2
[M]+ 257.07141 159.7
[M]- 257.07251 159.7
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.