CID 137949417

(2,4-dimethylphenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C9H11FO2S
SMILES
CC1=CC(=C(C=C1)CS(=O)(=O)F)C
InChI
InChI=1S/C9H11FO2S/c1-7-3-4-9(8(2)5-7)6-13(10,11)12/h3-5H,6H2,1-2H3
InChIKey
ZKSPLWJVIMSMDR-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04637 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05365 143.2
[M+Na]+ 225.03559 155.0
[M+NH4]+ 220.08019 150.9
[M+K]+ 241.00953 147.3
[M-H]- 201.03909 143.1
[M+Na-2H]- 223.02104 148.3
[M]+ 202.04582 145.3
[M]- 202.04692 145.3
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.