CID 214690

33719-21-0

Structural Information

Molecular Formula
C9H10FNO3S
SMILES
CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C9H10FNO3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)
InChIKey
MHDPNRPBTSKUAW-UHFFFAOYSA-N
Compound name
4-(acetamidomethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.03654 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04382 148.3
[M+Na]+ 254.02576 157.7
[M+NH4]+ 249.07036 154.5
[M+K]+ 269.99970 151.5
[M-H]- 230.02926 147.4
[M+Na-2H]- 252.01121 152.6
[M]+ 231.03599 149.5
[M]- 231.03709 149.5
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.