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 137.4
[M+Na]+ 225.03559 147.6
[M-H]- 201.03909 140.7
[M+NH4]+ 220.08019 157.7
[M+K]+ 241.00953 144.5
[M+H-H2O]+ 185.04363 131.5
[M+HCOO]- 247.04457 154.9
[M+CH3COO]- 261.06022 182.9
[M+Na-2H]- 223.02104 141.1
[M]+ 202.04582 140.1
[M]- 202.04692 140.1
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.