CID 37470

785793-89-7

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1=CC=C(C(=C1)O)SCC(=O)O
InChI
InChI=1S/C8H8O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
OUTAPFRSXHRXSX-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.01941 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 136.4
[M+Na]+ 207.00863 147.5
[M+NH4]+ 202.05323 144.3
[M+K]+ 222.98257 140.7
[M-H]- 183.01213 137.0
[M+Na-2H]- 204.99408 141.3
[M]+ 184.01886 138.4
[M]- 184.01996 138.4
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