CID 4460718

1512-43-2

Structural Information

Molecular Formula
C13H11FN2O3S
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)S(=O)(=O)F
InChI
InChI=1S/C13H11FN2O3S/c14-20(18,19)12-7-1-9(2-8-12)13(17)16-11-5-3-10(15)4-6-11/h1-8H,15H2,(H,16,17)
InChIKey
VCUVCQBPCHOVNY-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)carbamoyl]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.054726 161.8
[M+Na]+ 317.036668 169.6
[M-H]- 293.040174 167.1
[M+NH4]+ 312.081273 176.5
[M+K]+ 333.010608 164.8
[M+H-H2O]+ 277.044710 153.4
[M+HCOO]- 339.045651 180.1
[M+CH3COO]- 353.061301 201.6
[M+Na-2H]- 315.022116 165.3
[M]+ 294.04690142 160.9
[M]- 294.04799858 160.9
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.