CID 43661428

945021-15-8

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CN1C2=C(C=CC=C2Cl)N=C1N
InChI
InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
SXLPXHZFEJYXBB-UHFFFAOYSA-N
Compound name
7-chloro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

181.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 134.6
[M+Na]+ 204.029898 147.7
[M-H]- 180.033404 137.2
[M+NH4]+ 199.074503 156.0
[M+K]+ 220.003838 142.6
[M+H-H2O]+ 164.037940 128.5
[M+HCOO]- 226.038881 154.7
[M+CH3COO]- 240.054531 149.3
[M+Na-2H]- 202.015346 141.6
[M]+ 181.04013142 137.6
[M]- 181.04122858 137.6
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