CID 9899148

5,6-dichloro-1,3-dihydro-2h-benzimidazol-2-one

Structural Information

Molecular Formula
C7H4Cl2N2O
SMILES
C1=C2C(=CC(=C1Cl)Cl)NC(=O)N2
InChI
InChI=1S/C7H4Cl2N2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
HQBYAESCKCDTDJ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

201.97006 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97734 134.5
[M+Na]+ 224.95928 148.3
[M-H]- 200.96278 134.2
[M+NH4]+ 220.00388 154.4
[M+K]+ 240.93322 140.9
[M+H-H2O]+ 184.96732 129.8
[M+HCOO]- 246.96826 146.6
[M+CH3COO]- 260.98391 148.0
[M+Na-2H]- 222.94473 140.7
[M]+ 201.96951 136.6
[M]- 201.97061 136.6
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