CID 27060

Benzophenone, 2-hydroxy-4-butoxy-

Structural Information

Molecular Formula
C17H18O3
SMILES
CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H18O3/c1-2-3-11-20-14-9-10-15(16(18)12-14)17(19)13-7-5-4-6-8-13/h4-10,12,18H,2-3,11H2,1H3
InChIKey
IADJBCIKCXGXDN-UHFFFAOYSA-N
Compound name
(4-butoxy-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

318
Patents

270.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 162.5
[M+Na]+ 293.11480 169.0
[M-H]- 269.11830 167.7
[M+NH4]+ 288.15940 178.0
[M+K]+ 309.08874 165.2
[M+H-H2O]+ 253.12284 154.8
[M+HCOO]- 315.12378 184.2
[M+CH3COO]- 329.13943 196.9
[M+Na-2H]- 291.10025 165.8
[M]+ 270.12503 164.5
[M]- 270.12613 164.5
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