CID 33179

Cyasorb uv 287

Structural Information

Molecular Formula
C17H18O4
SMILES
CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C17H18O4/c1-2-3-10-21-12-8-9-14(16(19)11-12)17(20)13-6-4-5-7-15(13)18/h4-9,11,18-19H,2-3,10H2,1H3
InChIKey
ZOXXRCPXCUJHQQ-UHFFFAOYSA-N
Compound name
(4-butoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

286.1205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.5
[M+Na]+ 309.10972 172.3
[M-H]- 285.11322 169.7
[M+NH4]+ 304.15432 179.8
[M+K]+ 325.08366 168.4
[M+H-H2O]+ 269.11776 158.1
[M+HCOO]- 331.11870 185.8
[M+CH3COO]- 345.13435 197.8
[M+Na-2H]- 307.09517 167.7
[M]+ 286.11995 167.5
[M]- 286.12105 167.5
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