CID 121553533

Methyl 2-(2-fluoro-4-sulfamoylphenyl)acetate

Structural Information

Molecular Formula
C9H10FNO4S
SMILES
COC(=O)CC1=C(C=C(C=C1)S(=O)(=O)N)F
InChI
InChI=1S/C9H10FNO4S/c1-15-9(12)4-6-2-3-7(5-8(6)10)16(11,13)14/h2-3,5H,4H2,1H3,(H2,11,13,14)
InChIKey
WHZUHRCDWVGPEL-UHFFFAOYSA-N
Compound name
methyl 2-(2-fluoro-4-sulfamoylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.03146 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03874 148.3
[M+Na]+ 270.02068 157.1
[M-H]- 246.02418 150.7
[M+NH4]+ 265.06528 165.6
[M+K]+ 285.99462 154.3
[M+H-H2O]+ 230.02872 141.5
[M+HCOO]- 292.02966 165.5
[M+CH3COO]- 306.04531 190.7
[M+Na-2H]- 268.00613 150.5
[M]+ 247.03091 150.5
[M]- 247.03201 150.5
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.