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 145.3
[M+Na]+ 254.02576 153.4
[M-H]- 230.02926 148.0
[M+NH4]+ 249.07036 163.3
[M+K]+ 269.99970 150.5
[M+H-H2O]+ 214.03380 138.4
[M+HCOO]- 276.03474 163.0
[M+CH3COO]- 290.05039 187.9
[M+Na-2H]- 252.01121 149.0
[M]+ 231.03599 146.7
[M]- 231.03709 146.7
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

No patent data available for this compound.