CID 113622

103748-25-0

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CN1C2=C(C=C(C=C2)Cl)N=C1N
InChI
InChI=1S/C8H8ClN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
QZDYOBDSZXQLIW-UHFFFAOYSA-N
Compound name
5-chloro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

181.04068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 132.9
[M+Na]+ 204.02990 147.9
[M+NH4]+ 199.07450 142.3
[M+K]+ 220.00384 142.4
[M-H]- 180.03340 135.3
[M+Na-2H]- 202.01535 140.2
[M]+ 181.04013 136.0
[M]- 181.04123 136.0
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