CID 774877

4-(4-chloro-1h-1,3-benzodiazol-2-yl)aniline

Structural Information

Molecular Formula
C13H10ClN3
SMILES
C1=CC2=C(C(=C1)Cl)N=C(N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H10ClN3/c14-10-2-1-3-11-12(10)17-13(16-11)8-4-6-9(15)7-5-8/h1-7H,15H2,(H,16,17)
InChIKey
OYRGQZGEESTQIV-UHFFFAOYSA-N
Compound name
4-(4-chloro-1H-benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

243.05632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.063596 151.6
[M+Na]+ 266.045538 163.4
[M-H]- 242.049044 155.7
[M+NH4]+ 261.090143 169.3
[M+K]+ 282.019478 155.6
[M+H-H2O]+ 226.053580 144.1
[M+HCOO]- 288.054521 169.9
[M+CH3COO]- 302.070171 164.3
[M+Na-2H]- 264.030986 157.8
[M]+ 243.05577142 152.3
[M]- 243.05686858 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