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

5
Patents

233.01581 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.023086 143.7
[M+Na]+ 256.005028 153.0
[M-H]- 232.008534 146.4
[M+NH4]+ 251.049633 161.6
[M+K]+ 271.978968 150.5
[M+H-H2O]+ 216.013070 137.1
[M+HCOO]- 278.014011 161.3
[M+CH3COO]- 292.029661 187.7
[M+Na-2H]- 253.990476 146.5
[M]+ 233.01526142 145.6
[M]- 233.01635858 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