CID 55192

2-hydroxy-4-(pentyloxy)benzophenone

Structural Information

Molecular Formula
C18H20O3
SMILES
CCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C18H20O3/c1-2-3-7-12-21-15-10-11-16(17(19)13-15)18(20)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3
InChIKey
LNNJJSNAJSNRQF-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-pentoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

284.14124 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.1
[M+Na]+ 307.13046 173.2
[M-H]- 283.13396 172.1
[M+NH4]+ 302.17506 182.0
[M+K]+ 323.10440 169.1
[M+H-H2O]+ 267.13850 159.2
[M+HCOO]- 329.13944 188.4
[M+CH3COO]- 343.15509 199.9
[M+Na-2H]- 305.11591 169.9
[M]+ 284.14069 169.4
[M]- 284.14179 169.4
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

patents stripe