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

13
Patents

202.04637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05365 138.4
[M+Na]+ 225.03559 147.7
[M-H]- 201.03909 141.3
[M+NH4]+ 220.08019 158.4
[M+K]+ 241.00953 144.6
[M+H-H2O]+ 185.04363 132.2
[M+HCOO]- 247.04457 155.9
[M+CH3COO]- 261.06022 181.7
[M+Na-2H]- 223.02104 142.6
[M]+ 202.04582 140.7
[M]- 202.04692 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