CID 51064055

5-chloro-6-fluoro-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C7H4ClFN2O
SMILES
C1=C2C(=CC(=C1F)Cl)NC(=O)N2
InChI
InChI=1S/C7H4ClFN2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
MLLYPEORWDUMKB-UHFFFAOYSA-N
Compound name
5-chloro-6-fluoro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.99962 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00690 130.1
[M+Na]+ 208.98884 143.9
[M-H]- 184.99234 129.3
[M+NH4]+ 204.03344 150.4
[M+K]+ 224.96278 137.2
[M+H-H2O]+ 168.99688 124.1
[M+HCOO]- 230.99782 146.5
[M+CH3COO]- 245.01347 144.0
[M+Na-2H]- 206.97429 136.8
[M]+ 185.99907 130.4
[M]- 186.00017 130.4
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