CID 177800420

4-(1-hydroxyethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO3S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)F)O
InChI
InChI=1S/C8H9FO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-6,10H,1H3
InChIKey
STBYVBKIVFUUBW-UHFFFAOYSA-N
Compound name
4-(1-hydroxyethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02565 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03293 137.5
[M+Na]+ 227.01487 146.3
[M-H]- 203.01837 139.2
[M+NH4]+ 222.05947 156.4
[M+K]+ 242.98881 143.5
[M+H-H2O]+ 187.02291 131.7
[M+HCOO]- 249.02385 153.0
[M+CH3COO]- 263.03950 179.0
[M+Na-2H]- 225.00032 140.9
[M]+ 204.02510 138.4
[M]- 204.02620 138.4
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.