CID 3061787

Brn 5578660

Structural Information

Molecular Formula
C14H10Cl2N2O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H10Cl2N2O/c1-17-12-7-6-9(15)8-13(12)18(14(17)19)11-5-3-2-4-10(11)16/h2-8H,1H3
InChIKey
KTSWOFZVJNYCLP-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02431 161.5
[M+Na]+ 315.00625 176.3
[M-H]- 291.00975 167.1
[M+NH4]+ 310.05085 179.3
[M+K]+ 330.98019 168.6
[M+H-H2O]+ 275.01429 154.2
[M+HCOO]- 337.01523 175.5
[M+CH3COO]- 351.03088 174.9
[M+Na-2H]- 312.99170 165.5
[M]+ 292.01648 168.3
[M]- 292.01758 168.3
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.