CID 5273928

Oxo-(4-styryl-phenyl)-acetaldehyde, hydrate

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)C(O)O
InChI
InChI=1S/C16H14O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,16,18-19H/b7-6+
InChIKey
JYUPCKOWDMPSNC-VOTSOKGWSA-N
Compound name
2,2-dihydroxy-1-[4-[(E)-2-phenylethenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 157.7
[M+Na]+ 277.08352 163.4
[M-H]- 253.08702 161.5
[M+NH4]+ 272.12812 172.7
[M+K]+ 293.05746 158.8
[M+H-H2O]+ 237.09156 150.6
[M+HCOO]- 299.09250 177.4
[M+CH3COO]- 313.10815 189.7
[M+Na-2H]- 275.06897 160.6
[M]+ 254.09375 155.7
[M]- 254.09485 155.7
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.