CID 116926717

1823268-85-4

Structural Information

Molecular Formula
C11H12O4S
SMILES
C1CC2=C(C=CC(=C2)CC(=O)O)S(=O)(=O)C1
InChI
InChI=1S/C11H12O4S/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-16(10,14)15/h3-4,6H,1-2,5,7H2,(H,12,13)
InChIKey
GQVYVRZERNHHLM-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.04562 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05290 148.9
[M+Na]+ 263.03484 160.0
[M+NH4]+ 258.07944 158.1
[M+K]+ 279.00878 151.0
[M-H]- 239.03834 149.7
[M+Na-2H]- 261.02029 154.4
[M]+ 240.04507 151.1
[M]- 240.04617 151.1
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.