CID 1252098

5-(ethylsulfamoyl)-2-fluorobenzoic acid

Structural Information

Molecular Formula
C9H10FNO4S
SMILES
CCNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C9H10FNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKey
QBGVEYAQSZDGOH-UHFFFAOYSA-N
Compound name
5-(ethylsulfamoyl)-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.03146 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03874 147.8
[M+Na]+ 270.02068 156.0
[M-H]- 246.02418 149.3
[M+NH4]+ 265.06528 164.6
[M+K]+ 285.99462 152.7
[M+H-H2O]+ 230.02872 141.2
[M+HCOO]- 292.02966 164.2
[M+CH3COO]- 306.04531 189.5
[M+Na-2H]- 268.00613 150.7
[M]+ 247.03091 149.3
[M]- 247.03201 149.3
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