CID 73659126

Hf2

Structural Information

Molecular Formula
C9H10O3S
SMILES
C1=CC=C(C=C1)[C@H]([C@H](C(=O)O)O)S
InChI
InChI=1S/C9H10O3S/c10-7(9(11)12)8(13)6-4-2-1-3-5-6/h1-5,7-8,10,13H,(H,11,12)/t7-,8-/m1/s1
InChIKey
SVGXKGXXXJMWEO-HTQZYQBOSA-N
Compound name
(2S,3R)-2-hydroxy-3-phenyl-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04234 140.7
[M+Na]+ 221.02428 150.4
[M+NH4]+ 216.06888 148.1
[M+K]+ 236.99822 144.9
[M-H]- 197.02778 140.8
[M+Na-2H]- 219.00973 144.9
[M]+ 198.03451 142.3
[M]- 198.03561 142.3
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.