CID 9816483

(e)-2,4-bis(p-hydroxyphenyl)-2-butenal

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC(=CC=C1C/C=C(/C=O)\C2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H14O3/c17-11-14(13-5-9-16(19)10-6-13)4-1-12-2-7-15(18)8-3-12/h2-11,18-19H,1H2/b14-4-
InChIKey
OOKNIWVQUYEHRG-CPSFFCFKSA-N
Compound name
(E)-2,4-bis(4-hydroxyphenyl)but-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

254.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 157.2
[M+Na]+ 277.08352 164.2
[M-H]- 253.08702 161.4
[M+NH4]+ 272.12812 172.7
[M+K]+ 293.05746 159.1
[M+H-H2O]+ 237.09156 150.2
[M+HCOO]- 299.09250 178.0
[M+CH3COO]- 313.10815 190.0
[M+Na-2H]- 275.06897 160.7
[M]+ 254.09375 156.3
[M]- 254.09485 156.3
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