CID 64081527

1339610-81-9

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CN1C2=C(C=C(C=C2)CCl)N(C1=O)C
InChI
InChI=1S/C10H11ClN2O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6H2,1-2H3
InChIKey
JHKSBQYGZMOPOK-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 141.2
[M+Na]+ 233.04520 155.3
[M-H]- 209.04870 144.4
[M+NH4]+ 228.08980 162.3
[M+K]+ 249.01914 150.2
[M+H-H2O]+ 193.05324 135.2
[M+HCOO]- 255.05418 160.5
[M+CH3COO]- 269.06983 186.5
[M+Na-2H]- 231.03065 146.9
[M]+ 210.05543 147.6
[M]- 210.05653 147.6
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

patents stripe