CID 14043270

2-(5-chloro-1h-1,3-benzodiazol-2-yl)aniline

Structural Information

Molecular Formula
C13H10ClN3
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)Cl)N
InChI
InChI=1S/C13H10ClN3/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,15H2,(H,16,17)
InChIKey
CWVOGEATHKXBNE-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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