CID 130126523

4-(hydroxymethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO3S
SMILES
C1=CC(=CC=C1CO)S(=O)(=O)F
InChI
InChI=1S/C7H7FO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
MVZMZGSMOCVHFQ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.01 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01728 133.3
[M+Na]+ 212.99922 142.9
[M-H]- 189.00272 135.1
[M+NH4]+ 208.04382 152.9
[M+K]+ 228.97316 139.7
[M+H-H2O]+ 173.00726 127.5
[M+HCOO]- 235.00820 150.2
[M+CH3COO]- 249.02385 175.1
[M+Na-2H]- 210.98467 138.2
[M]+ 190.00945 134.4
[M]- 190.01055 134.4
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.