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

302
Patents

244.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.7
[M+Na]+ 267.06278 161.3
[M-H]- 243.06628 155.1
[M+NH4]+ 262.10738 167.8
[M+K]+ 283.03672 155.9
[M+H-H2O]+ 227.07082 146.6
[M+HCOO]- 289.07176 172.0
[M+CH3COO]- 303.08741 184.0
[M+Na-2H]- 265.04823 156.1
[M]+ 244.07301 151.0
[M]- 244.07411 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

literature stripe

Patent stripe

patents stripe