CID 85638

16909-78-7

Structural Information

Molecular Formula
C15H14O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCO)O
InChI
InChI=1S/C15H14O4/c16-8-9-19-12-6-7-13(14(17)10-12)15(18)11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2
InChIKey
SCMSRHIBVBIECI-UHFFFAOYSA-N
Compound name
[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1769
Patents

258.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.6
[M+Na]+ 281.07842 163.5
[M-H]- 257.08192 160.8
[M+NH4]+ 276.12302 171.8
[M+K]+ 297.05236 159.9
[M+H-H2O]+ 241.08646 149.4
[M+HCOO]- 303.08740 177.7
[M+CH3COO]- 317.10305 190.6
[M+Na-2H]- 279.06387 160.6
[M]+ 258.08865 157.5
[M]- 258.08975 157.5
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