CID 663080

2-chloro-1-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CN1C2=CC=CC=C2N=C1Cl
InChI
InChI=1S/C8H7ClN2/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKey
UXZYKSFMGDWHGJ-UHFFFAOYSA-N
Compound name
2-chloro-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

445
Patents

166.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.5
[M+Na]+ 189.01899 142.5
[M-H]- 165.02249 132.2
[M+NH4]+ 184.06359 151.8
[M+K]+ 204.99293 138.0
[M+H-H2O]+ 149.02703 123.4
[M+HCOO]- 211.02797 149.2
[M+CH3COO]- 225.04362 144.6
[M+Na-2H]- 187.00444 137.8
[M]+ 166.02922 133.7
[M]- 166.03032 133.7
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