CID 242311

2-methoxyphenyl 4-methylbenzenesulfonate

Structural Information

Molecular Formula
C14H14O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OC
InChI
InChI=1S/C14H14O4S/c1-11-7-9-12(10-8-11)19(15,16)18-14-6-4-3-5-13(14)17-2/h3-10H,1-2H3
InChIKey
KWGBHIAGIZZACP-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

278.06128 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06856 159.8
[M+Na]+ 301.05050 168.9
[M-H]- 277.05400 167.3
[M+NH4]+ 296.09510 176.4
[M+K]+ 317.02444 165.7
[M+H-H2O]+ 261.05854 152.7
[M+HCOO]- 323.05948 178.8
[M+CH3COO]- 337.07513 195.1
[M+Na-2H]- 299.03595 164.4
[M]+ 278.06073 165.7
[M]- 278.06183 165.7
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