CID 53429730

1262415-96-2

Structural Information

Molecular Formula
C13H11FO2S
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)F
InChI
InChI=1S/C13H11FO2S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)17(14,15)16/h2-9H,1H3
InChIKey
SRUDIGLPGZXHEO-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05365 154.1
[M+Na]+ 273.03559 168.1
[M+NH4]+ 268.08019 162.4
[M+K]+ 289.00953 159.0
[M-H]- 249.03909 156.8
[M+Na-2H]- 271.02104 162.7
[M]+ 250.04582 157.5
[M]- 250.04692 157.5
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.