CID 15304869

Methyl 2-[(2-hydroxyphenyl)sulfanyl]acetate

Structural Information

Molecular Formula
C9H10O3S
SMILES
COC(=O)CSC1=CC=CC=C1O
InChI
InChI=1S/C9H10O3S/c1-12-9(11)6-13-8-5-3-2-4-7(8)10/h2-5,10H,6H2,1H3
InChIKey
JCNJIKJUZSGYTH-UHFFFAOYSA-N
Compound name
methyl 2-(2-hydroxyphenyl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.03506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.042336 139.8
[M+Na]+ 221.024278 147.7
[M-H]- 197.027784 142.5
[M+NH4]+ 216.068883 159.1
[M+K]+ 236.998218 145.2
[M+H-H2O]+ 181.032320 134.3
[M+HCOO]- 243.033261 157.5
[M+CH3COO]- 257.048911 179.0
[M+Na-2H]- 219.009726 142.5
[M]+ 198.03451142 143.3
[M]- 198.03560858 143.3
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