CID 20773449

4-propylbenzenesulfonyl fluoride

Structural Information

Molecular Formula
C9H11FO2S
SMILES
CCCC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C9H11FO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3
InChIKey
QUANWRLXHIFDCR-UHFFFAOYSA-N
Compound name
4-propylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

202.04637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.053646 138.4
[M+Na]+ 225.035588 147.7
[M-H]- 201.039094 141.3
[M+NH4]+ 220.080193 158.4
[M+K]+ 241.009528 144.6
[M+H-H2O]+ 185.043630 132.2
[M+HCOO]- 247.044571 155.9
[M+CH3COO]- 261.060221 181.7
[M+Na-2H]- 223.021036 142.6
[M]+ 202.04582142 140.7
[M]- 202.04691858 140.7
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

patents stripe