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]+ 196.06360 139.4
[M+Na]+ 218.04554 152.0
[M-H]- 194.04904 141.7
[M+NH4]+ 213.09014 160.2
[M+K]+ 234.01948 146.7
[M+H-H2O]+ 178.05358 133.0
[M+HCOO]- 240.05452 159.1
[M+CH3COO]- 254.07017 153.5
[M+Na-2H]- 216.03099 145.7
[M]+ 195.05577 142.6
[M]- 195.05687 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.