CID 743900

109635-38-3

Structural Information

Molecular Formula
C14H12ClN3
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C14H12ClN3/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
HKBJSDNECZUKSR-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

257.07196 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07924 156.3
[M+Na]+ 280.06118 168.1
[M-H]- 256.06468 161.6
[M+NH4]+ 275.10578 174.1
[M+K]+ 296.03512 160.9
[M+H-H2O]+ 240.06922 148.2
[M+HCOO]- 302.07016 175.8
[M+CH3COO]- 316.08581 169.3
[M+Na-2H]- 278.04663 162.4
[M]+ 257.07141 159.1
[M]- 257.07251 159.1
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