CID 318088

2-(1h-1,3-benzodiazol-2-yl)-4-chloroaniline

Structural Information

Molecular Formula
C13H10ClN3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C13H10ClN3/c14-8-5-6-10(15)9(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17)
InChIKey
GLQIZLCZHSQBLY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

243.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06360 151.6
[M+Na]+ 266.04554 163.4
[M-H]- 242.04904 155.7
[M+NH4]+ 261.09014 169.3
[M+K]+ 282.01948 155.6
[M+H-H2O]+ 226.05358 144.1
[M+HCOO]- 288.05452 169.9
[M+CH3COO]- 302.07017 164.3
[M+Na-2H]- 264.03099 157.8
[M]+ 243.05577 152.3
[M]- 243.05687 152.3
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