CID 6454520

65355-56-8

Structural Information

Molecular Formula
C10H12O6S
SMILES
C1=CC(=CC=C1OCCCC(=O)O)S(=O)(=O)O
InChI
InChI=1S/C10H12O6S/c11-10(12)2-1-7-16-8-3-5-9(6-4-8)17(13,14)15/h3-6H,1-2,7H2,(H,11,12)(H,13,14,15)
InChIKey
SSOVBNUHEAFNGQ-UHFFFAOYSA-N
Compound name
4-(4-sulfophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03546 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.042736 153.0
[M+Na]+ 283.024678 160.0
[M-H]- 259.028184 154.0
[M+NH4]+ 278.069283 168.5
[M+K]+ 298.998618 157.3
[M+H-H2O]+ 243.032720 147.2
[M+HCOO]- 305.033661 168.1
[M+CH3COO]- 319.049311 185.4
[M+Na-2H]- 281.010126 156.1
[M]+ 260.03491142 157.4
[M]- 260.03600858 157.4
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

No patent data available for this compound.