CID 9859982

35154-48-4

Structural Information

Molecular Formula
C14H12O5
SMILES
C1=C(C=C(C=C1O)O)/C=C/C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C14H12O5/c15-10-3-8(4-11(16)7-10)1-2-9-5-12(17)14(19)13(18)6-9/h1-7,15-19H/b2-1+
InChIKey
PBRNOKNVNSKDQZ-OWOJBTEDSA-N
Compound name
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

89
Patents

260.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 156.0
[M+Na]+ 283.05770 164.9
[M-H]- 259.06120 157.4
[M+NH4]+ 278.10230 169.9
[M+K]+ 299.03164 159.4
[M+H-H2O]+ 243.06574 150.0
[M+HCOO]- 305.06668 173.9
[M+CH3COO]- 319.08233 185.5
[M+Na-2H]- 281.04315 158.2
[M]+ 260.06793 154.4
[M]- 260.06903 154.4
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