CID 10198725

33626-09-4

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=C(C=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C14H12O4/c15-11-3-9(4-12(16)7-11)1-2-10-5-13(17)8-14(18)6-10/h1-8,15-18H/b2-1+
InChIKey
NPUWPQJIMKMGDE-OWOJBTEDSA-N
Compound name
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

308
Patents

244.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 152.7
[M+Na]+ 267.062778 161.3
[M-H]- 243.066284 155.1
[M+NH4]+ 262.107383 167.8
[M+K]+ 283.036718 155.9
[M+H-H2O]+ 227.070820 146.6
[M+HCOO]- 289.071761 172.0
[M+CH3COO]- 303.087411 184.0
[M+Na-2H]- 265.048226 156.1
[M]+ 244.07301142 151.0
[M]- 244.07410858 151.0
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.