CID 13986213

15965-60-3

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC1=CC2=C(C=C1)N(C(=N2)Cl)C
InChI
InChI=1S/C9H9ClN2/c1-6-3-4-8-7(5-6)11-9(10)12(8)2/h3-5H,1-2H3
InChIKey
ZFNQWUCRBLFKDP-UHFFFAOYSA-N
Compound name
2-chloro-1,5-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]+ 181.052706 134.2
[M+Na]+ 203.034648 147.7
[M-H]- 179.038154 137.1
[M+NH4]+ 198.079253 156.2
[M+K]+ 219.008588 142.9
[M+H-H2O]+ 163.042690 128.2
[M+HCOO]- 225.043631 153.5
[M+CH3COO]- 239.059281 149.2
[M+Na-2H]- 201.020096 141.2
[M]+ 180.04488142 139.1
[M]- 180.04597858 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.