CID 90935

3-chloro-2-(2-chloro-4-fluorophenyl)oxirane-2-carboxamide

Structural Information

Molecular Formula
C9H6Cl2FNO2
SMILES
C1=CC(=C(C=C1F)Cl)C2(C(O2)Cl)C(=O)N
InChI
InChI=1S/C9H6Cl2FNO2/c10-6-3-4(12)1-2-5(6)9(8(13)14)7(11)15-9/h1-3,7H,(H2,13,14)
InChIKey
JDNAJAXZNLKSTI-UHFFFAOYSA-N
Compound name
3-chloro-2-(2-chloro-4-fluorophenyl)oxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.97597 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98325 139.1
[M+Na]+ 271.96519 151.4
[M-H]- 247.96869 145.7
[M+NH4]+ 267.00979 153.4
[M+K]+ 287.93913 147.4
[M+H-H2O]+ 231.97323 134.6
[M+HCOO]- 293.97417 152.4
[M+CH3COO]- 307.98982 195.0
[M+Na-2H]- 269.95064 144.4
[M]+ 248.97542 144.2
[M]- 248.97652 144.2
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