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]+ 295.05473 161.8
[M+Na]+ 317.03667 169.6
[M-H]- 293.04017 167.1
[M+NH4]+ 312.08127 176.5
[M+K]+ 333.01061 164.8
[M+H-H2O]+ 277.04471 153.4
[M+HCOO]- 339.04565 180.1
[M+CH3COO]- 353.06130 201.6
[M+Na-2H]- 315.02212 165.3
[M]+ 294.04690 160.9
[M]- 294.04800 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.