CID 2249238

2,2,3,3,4,4,4-heptafluorobutyl diphenylphosphinate

Structural Information

Molecular Formula
C16H12F7O2P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H12F7O2P/c17-14(18,15(19,20)16(21,22)23)11-25-26(24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
XTMMQBINMKHYNZ-UHFFFAOYSA-N
Compound name
[2,2,3,3,4,4,4-heptafluorobutoxy(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.04633 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05361 189.7
[M+Na]+ 423.03555 197.0
[M-H]- 399.03905 186.0
[M+NH4]+ 418.08015 200.3
[M+K]+ 439.00949 192.0
[M+H-H2O]+ 383.04359 174.2
[M+HCOO]- 445.04453 204.6
[M+CH3COO]- 459.06018 218.8
[M+Na-2H]- 421.02100 192.2
[M]+ 400.04578 181.7
[M]- 400.04688 181.7
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.