CID 82286179

1368849-72-2

Structural Information

Molecular Formula
C8H9FO4S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)F)OC
InChI
InChI=1S/C8H9FO4S/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3
InChIKey
ZVHNYPCVPUUSPY-UHFFFAOYSA-N
Compound name
2,4-dimethoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

220.02055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02783 139.9
[M+Na]+ 243.00977 150.1
[M-H]- 219.01327 143.2
[M+NH4]+ 238.05437 159.2
[M+K]+ 258.98371 148.3
[M+H-H2O]+ 203.01781 133.6
[M+HCOO]- 265.01875 158.1
[M+CH3COO]- 279.03440 184.0
[M+Na-2H]- 240.99522 144.3
[M]+ 220.02000 145.1
[M]- 220.02110 145.1
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

patents stripe