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]+ 217.069306 141.4
[M+Na]+ 239.051248 150.9
[M-H]- 215.054754 144.6
[M+NH4]+ 234.095853 161.0
[M+K]+ 255.025188 148.0
[M+H-H2O]+ 199.059290 135.4
[M+HCOO]- 261.060231 157.5
[M+CH3COO]- 275.075881 186.7
[M+Na-2H]- 237.036696 143.6
[M]+ 216.06148142 143.9
[M]- 216.06257858 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.