CID 8569

Dioxybenzone

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3
InChIKey
MEZZCSHVIGVWFI-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

50
References

43288
Patents

244.07356 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 151.6
[M+Na]+ 267.062778 159.8
[M-H]- 243.066284 156.4
[M+NH4]+ 262.107383 167.7
[M+K]+ 283.036718 156.5
[M+H-H2O]+ 227.070820 144.8
[M+HCOO]- 289.071761 173.0
[M+CH3COO]- 303.087411 188.9
[M+Na-2H]- 265.048226 155.4
[M]+ 244.07301142 152.6
[M]- 244.07410858 152.6
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