CID 45078536

2-chloro-1,7-dimethyl-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC1=C2C(=CC=C1)N=C(N2C)Cl
InChI
InChI=1S/C9H9ClN2/c1-6-4-3-5-7-8(6)12(2)9(10)11-7/h3-5H,1-2H3
InChIKey
BRCBUGFANWKRJG-UHFFFAOYSA-N
Compound name
2-chloro-1,7-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04543 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.2
[M+Na]+ 203.03465 147.7
[M-H]- 179.03815 137.1
[M+NH4]+ 198.07925 156.2
[M+K]+ 219.00859 142.9
[M+H-H2O]+ 163.04269 128.2
[M+HCOO]- 225.04363 153.5
[M+CH3COO]- 239.05928 149.2
[M+Na-2H]- 201.02010 141.2
[M]+ 180.04488 139.1
[M]- 180.04598 139.1
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.