CID 137949457

1-(3,5-dimethylphenyl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H13FO2S
SMILES
CC1=CC(=CC(=C1)C(C)S(=O)(=O)F)C
InChI
InChI=1S/C10H13FO2S/c1-7-4-8(2)6-10(5-7)9(3)14(11,12)13/h4-6,9H,1-3H3
InChIKey
PAQZFEAXCMAZBT-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06203 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06931 141.4
[M+Na]+ 239.05125 150.9
[M-H]- 215.05475 144.6
[M+NH4]+ 234.09585 161.0
[M+K]+ 255.02519 148.0
[M+H-H2O]+ 199.05929 135.4
[M+HCOO]- 261.06023 157.5
[M+CH3COO]- 275.07588 186.7
[M+Na-2H]- 237.03670 143.6
[M]+ 216.06148 143.9
[M]- 216.06258 143.9
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.