CID 14042943

15965-71-6

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)NC1=O
InChI
InChI=1S/C8H7ClN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
ZABAVTWKCRNJIG-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

182.02469 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 132.5
[M+Na]+ 205.01391 146.2
[M-H]- 181.01741 134.3
[M+NH4]+ 200.05851 153.7
[M+K]+ 220.98785 140.7
[M+H-H2O]+ 165.02195 127.0
[M+HCOO]- 227.02289 151.1
[M+CH3COO]- 241.03854 147.2
[M+Na-2H]- 202.99936 139.6
[M]+ 182.02414 136.0
[M]- 182.02524 136.0
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