CID 9965

P-toluenesulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKey
IZZYABADQVQHLC-UHFFFAOYSA-N
Compound name
4-methylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

88
References

976
Patents

174.01508 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02236 134.1
[M+Na]+ 197.00430 146.0
[M+NH4]+ 192.04890 142.2
[M+K]+ 212.97824 138.6
[M-H]- 173.00780 134.1
[M+Na-2H]- 194.98975 140.0
[M]+ 174.01453 136.2
[M]- 174.01563 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe