CID 88793

2-hydroxy-4-(2-phenoxyethoxy)benzophenone

Structural Information

Molecular Formula
C21H18O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCOC3=CC=CC=C3)O
InChI
InChI=1S/C21H18O4/c22-20-15-18(25-14-13-24-17-9-5-2-6-10-17)11-12-19(20)21(23)16-7-3-1-4-8-16/h1-12,15,22H,13-14H2
InChIKey
KRAXDLMUOHFJBZ-UHFFFAOYSA-N
Compound name
[2-hydroxy-4-(2-phenoxyethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

334.1205 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 178.4
[M+Na]+ 357.109718 184.1
[M-H]- 333.113224 186.4
[M+NH4]+ 352.154323 190.3
[M+K]+ 373.083658 179.6
[M+H-H2O]+ 317.117760 168.7
[M+HCOO]- 379.118701 200.0
[M+CH3COO]- 393.134351 207.1
[M+Na-2H]- 355.095166 182.0
[M]+ 334.11995142 180.2
[M]- 334.12104858 180.2
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