CID 136532172

2224277-88-5

Structural Information

Molecular Formula
C15H12F2N2O4S
SMILES
CC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)F)F
InChI
InChI=1S/C15H12F2N2O4S/c1-9(20)18-14-7-10(5-6-13(14)16)15(21)19-11-3-2-4-12(8-11)24(17,22)23/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKey
MGVWGWWQGFCOMJ-UHFFFAOYSA-N
Compound name
3-[(3-acetamido-4-fluorobenzoyl)amino]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05586 174.9
[M+Na]+ 377.03780 182.4
[M-H]- 353.04130 179.3
[M+NH4]+ 372.08240 187.3
[M+K]+ 393.01174 177.8
[M+H-H2O]+ 337.04584 165.2
[M+HCOO]- 399.04678 191.4
[M+CH3COO]- 413.06243 213.7
[M+Na-2H]- 375.02325 176.5
[M]+ 354.04803 175.0
[M]- 354.04913 175.0
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.