CID 49777726

4-(4,5-dichloro-1h-benzimidazol-2-yl)aniline

Structural Information

Molecular Formula
C13H9Cl2N3
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=CC(=C3Cl)Cl)N
InChI
InChI=1S/C13H9Cl2N3/c14-9-5-6-10-12(11(9)15)18-13(17-10)7-1-3-8(16)4-2-7/h1-6H,16H2,(H,17,18)
InChIKey
QOTXYQQVJWCOAW-UHFFFAOYSA-N
Compound name
4-(4,5-dichloro-1H-benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01736 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02464 158.8
[M+Na]+ 300.00658 171.8
[M-H]- 276.01008 162.3
[M+NH4]+ 295.05118 175.7
[M+K]+ 315.98052 163.0
[M+H-H2O]+ 260.01462 151.8
[M+HCOO]- 322.01556 171.8
[M+CH3COO]- 336.03121 171.0
[M+Na-2H]- 297.99203 163.3
[M]+ 277.01681 161.0
[M]- 277.01791 161.0
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.