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]+ 335.12778 178.4
[M+Na]+ 357.10972 184.1
[M-H]- 333.11322 186.4
[M+NH4]+ 352.15432 190.3
[M+K]+ 373.08366 179.6
[M+H-H2O]+ 317.11776 168.7
[M+HCOO]- 379.11870 200.0
[M+CH3COO]- 393.13435 207.1
[M+Na-2H]- 355.09517 182.0
[M]+ 334.11995 180.2
[M]- 334.12105 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