CID 112950

62778-21-6

Structural Information

Molecular Formula
C15H14O3S
SMILES
COC1=CC=C(C=C1)COC(=O)SC2=CC=CC=C2
InChI
InChI=1S/C15H14O3S/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
CMDFIEPFYJDNNW-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl phenylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06638 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07366 160.3
[M+Na]+ 297.05560 174.2
[M+NH4]+ 292.10020 169.0
[M+K]+ 313.02954 164.6
[M-H]- 273.05910 164.7
[M+Na-2H]- 295.04105 169.1
[M]+ 274.06583 164.1
[M]- 274.06693 164.1
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

No patent data available for this compound.