CID 43659345

1156753-55-7

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CCN1C2=C(C=C(C=C2)Cl)N=C1N
InChI
InChI=1S/C9H10ClN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKey
IENZKHQOAZUDKM-UHFFFAOYSA-N
Compound name
5-chloro-1-ethylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05632 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 139.4
[M+Na]+ 218.045538 152.0
[M-H]- 194.049044 141.7
[M+NH4]+ 213.090143 160.2
[M+K]+ 234.019478 146.7
[M+H-H2O]+ 178.053580 133.0
[M+HCOO]- 240.054521 159.1
[M+CH3COO]- 254.070171 153.5
[M+Na-2H]- 216.030986 145.7
[M]+ 195.05577142 142.6
[M]- 195.05686858 142.6
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.