CID 355712

Nsc609818

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=NC2=C(N1)C=C(C(=C2)N)Cl
InChI
InChI=1S/C8H8ClN3/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3,(H,11,12)
InChIKey
FXXPQDILKKBPOZ-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 135.0
[M+Na]+ 204.029898 147.7
[M-H]- 180.033404 136.2
[M+NH4]+ 199.074503 155.7
[M+K]+ 220.003838 141.7
[M+H-H2O]+ 164.037940 129.3
[M+HCOO]- 226.038881 153.6
[M+CH3COO]- 240.054531 149.0
[M+Na-2H]- 202.015346 141.5
[M]+ 181.04013142 136.1
[M]- 181.04122858 136.1
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.