CID 98661024

1496860-04-8

Structural Information

Molecular Formula
C9H11FO4S
SMILES
COCCOC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C9H11FO4S/c1-13-6-7-14-8-2-4-9(5-3-8)15(10,11)12/h2-5H,6-7H2,1H3
InChIKey
YFZBPZPPCQMCPD-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03621 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04349 145.3
[M+Na]+ 257.02543 154.3
[M-H]- 233.02893 148.1
[M+NH4]+ 252.07003 163.7
[M+K]+ 272.99937 152.1
[M+H-H2O]+ 217.03347 138.6
[M+HCOO]- 279.03441 163.3
[M+CH3COO]- 293.05006 185.8
[M+Na-2H]- 255.01088 149.9
[M]+ 234.03566 150.5
[M]- 234.03676 150.5
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.