CID 3034145

Cyclohexyl diphenyl phosphate

Structural Information

Molecular Formula
C18H21O4P
SMILES
C1CCC(CC1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H21O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey
CPKKNIYMTSBFIQ-UHFFFAOYSA-N
Compound name
cyclohexyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

114
Patents

332.11774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12502 177.2
[M+Na]+ 355.10696 179.6
[M-H]- 331.11046 184.0
[M+NH4]+ 350.15156 189.8
[M+K]+ 371.08090 177.1
[M+H-H2O]+ 315.11500 165.3
[M+HCOO]- 377.11594 201.4
[M+CH3COO]- 391.13159 205.9
[M+Na-2H]- 353.09241 179.2
[M]+ 332.11719 175.8
[M]- 332.11829 175.8
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