CID 65368033

5-carbamoyl-2-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClFNO3S
SMILES
C1=CC(=C(C=C1C(=O)N)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5ClFNO3S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3H,(H2,10,11)
InChIKey
UOUBWNXUJBPTAO-UHFFFAOYSA-N
Compound name
5-carbamoyl-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.96626 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.97354 141.0
[M+Na]+ 259.95548 151.5
[M-H]- 235.95898 144.0
[M+NH4]+ 255.00008 159.7
[M+K]+ 275.92942 146.9
[M+H-H2O]+ 219.96352 136.0
[M+HCOO]- 281.96446 154.3
[M+CH3COO]- 295.98011 186.9
[M+Na-2H]- 257.94093 143.8
[M]+ 236.96571 143.2
[M]- 236.96681 143.2
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

No patent data available for this compound.