CID 236032

3,3'-sulfonylbis(6-hydroxybenzaldehyde)

Structural Information

Molecular Formula
C14H10O6S
SMILES
C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)C=O)C=O)O
InChI
InChI=1S/C14H10O6S/c15-7-9-5-11(1-3-13(9)17)21(19,20)12-2-4-14(18)10(6-12)8-16/h1-8,17-18H
InChIKey
NRBDZRMCFXNSFF-UHFFFAOYSA-N
Compound name
5-(3-formyl-4-hydroxyphenyl)sulfonyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

306.0198 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02708 163.7
[M+Na]+ 329.00902 173.4
[M-H]- 305.01252 168.8
[M+NH4]+ 324.05362 177.6
[M+K]+ 344.98296 168.6
[M+H-H2O]+ 289.01706 157.1
[M+HCOO]- 351.01800 180.1
[M+CH3COO]- 365.03365 195.7
[M+Na-2H]- 326.99447 166.7
[M]+ 306.01925 168.0
[M]- 306.02035 168.0
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