CID 4650015

2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl diphenyl phosphate

Structural Information

Molecular Formula
C22H16F7O4P
SMILES
C1=CC=C(C=C1)C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H16F7O4P/c23-20(24,21(25,26)22(27,28)29)19(16-10-4-1-5-11-16)33-34(30,31-17-12-6-2-7-13-17)32-18-14-8-3-9-15-18/h1-15,19H
InChIKey
YFFAYDLVDYQFCZ-UHFFFAOYSA-N
Compound name
(2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.06744 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.07472 215.5
[M+Na]+ 531.05666 220.5
[M-H]- 507.06016 214.2
[M+NH4]+ 526.10126 220.7
[M+K]+ 547.03060 216.0
[M+H-H2O]+ 491.06470 197.6
[M+HCOO]- 553.06564 228.7
[M+CH3COO]- 567.08129 236.5
[M+Na-2H]- 529.04211 216.8
[M]+ 508.06689 208.9
[M]- 508.06799 208.9
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

No patent data available for this compound.