CID 56613837

6-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)O)O
InChI
InChI=1S/C14H12O4/c15-11-5-2-9(3-6-11)1-4-10-7-12(16)8-13(17)14(10)18/h1-8,15-18H
InChIKey
WREAQMXXCUARJD-UHFFFAOYSA-N
Compound name
6-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

131
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

literature stripe

Patent stripe

patents stripe