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 150.6
[M+Na]+ 273.03559 160.7
[M-H]- 249.03909 157.0
[M+NH4]+ 268.08019 168.6
[M+K]+ 289.00953 156.0
[M+H-H2O]+ 233.04363 143.3
[M+HCOO]- 295.04457 168.5
[M+CH3COO]- 309.06022 190.6
[M+Na-2H]- 271.02104 154.9
[M]+ 250.04582 152.3
[M]- 250.04692 152.3
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

No patent data available for this compound.