CID 43242433

Methyl 2-fluoro-5-sulfamoylbenzoate

Structural Information

Molecular Formula
C8H8FNO4S
SMILES
COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F
InChI
InChI=1S/C8H8FNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13)
InChIKey
WNDPEZPNAUBWAD-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-5-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.01581 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02309 143.7
[M+Na]+ 256.00503 153.0
[M-H]- 232.00853 146.4
[M+NH4]+ 251.04963 161.6
[M+K]+ 271.97897 150.5
[M+H-H2O]+ 216.01307 137.1
[M+HCOO]- 278.01401 161.3
[M+CH3COO]- 292.02966 187.7
[M+Na-2H]- 253.99048 146.5
[M]+ 233.01526 145.6
[M]- 233.01636 145.6
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