CID 14933023

15965-57-8

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=C2C(=CC=C1)NC(=N2)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKey
SYUSWWBZZRCZGH-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

166.02977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.3
[M+Na]+ 189.01899 145.0
[M+NH4]+ 184.06359 139.0
[M+K]+ 204.99293 139.0
[M-H]- 165.02249 131.1
[M+Na-2H]- 187.00444 137.0
[M]+ 166.02922 132.4
[M]- 166.03032 132.4
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