CID 5273908

4-biphenylglyoxal, bisulfite

Structural Information

Molecular Formula
C14H12O5S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O
InChI
InChI=1S/C14H12O5S/c15-13(14(16)20(17,18)19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16H,(H,17,18,19)
InChIKey
OZTIXDQMXNMHGI-UHFFFAOYSA-N
Compound name
1-hydroxy-2-oxo-2-(4-phenylphenyl)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.04056 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04784 162.1
[M+Na]+ 315.02978 168.6
[M-H]- 291.03328 166.3
[M+NH4]+ 310.07438 175.8
[M+K]+ 331.00372 164.7
[M+H-H2O]+ 275.03782 155.5
[M+HCOO]- 337.03876 176.3
[M+CH3COO]- 351.05441 192.2
[M+Na-2H]- 313.01523 164.7
[M]+ 292.04001 163.4
[M]- 292.04111 163.4
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.