CID 3061780

Brn 5579606

Structural Information

Molecular Formula
C15H12Cl2N2O
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CCCl
InChI
InChI=1S/C15H12Cl2N2O/c16-8-9-18-13-7-6-11(17)10-14(13)19(15(18)20)12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKey
ZILLDZSQEPABHJ-UHFFFAOYSA-N
Compound name
5-chloro-1-(2-chloroethyl)-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03265 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03993 166.1
[M+Na]+ 329.02187 179.5
[M-H]- 305.02537 171.1
[M+NH4]+ 324.06647 183.0
[M+K]+ 344.99581 171.5
[M+H-H2O]+ 289.02991 158.2
[M+HCOO]- 351.03085 179.7
[M+CH3COO]- 365.04650 178.6
[M+Na-2H]- 327.00732 170.2
[M]+ 306.03210 172.8
[M]- 306.03320 172.8
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.