CID 226499

2-phenoxyethyl methanesulfonate

Structural Information

Molecular Formula
C9H12O4S
SMILES
CS(=O)(=O)OCCOC1=CC=CC=C1
InChI
InChI=1S/C9H12O4S/c1-14(10,11)13-8-7-12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
CEWGIIZKTNAOIY-UHFFFAOYSA-N
Compound name
2-phenoxyethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

216.04562 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05290 143.8
[M+Na]+ 239.03484 152.0
[M-H]- 215.03834 147.7
[M+NH4]+ 234.07944 162.8
[M+K]+ 255.00878 150.2
[M+H-H2O]+ 199.04288 138.0
[M+HCOO]- 261.04382 162.9
[M+CH3COO]- 275.05947 182.0
[M+Na-2H]- 237.02029 149.5
[M]+ 216.04507 149.7
[M]- 216.04617 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe