CID 85888424

627909-24-4

Structural Information

Molecular Formula
C10H14F9O3P
SMILES
CCOP(=O)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCC
InChI
InChI=1S/C10H14F9O3P/c1-3-21-23(20,22-4-2)6-5-7(11,12)8(13,14)9(15,16)10(17,18)19/h3-6H2,1-2H3
InChIKey
AQQVULYFDVBMHP-UHFFFAOYSA-N
Compound name
6-diethoxyphosphoryl-1,1,1,2,2,3,3,4,4-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

384.05368 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06096 183.5
[M+Na]+ 407.04290 167.5
[M-H]- 383.04640 161.9
[M+NH4]+ 402.08750 168.0
[M+K]+ 423.01684 189.2
[M+H-H2O]+ 367.05094 170.0
[M+HCOO]- 429.05188 183.8
[M+CH3COO]- 443.06753 218.4
[M+Na-2H]- 405.02835 185.4
[M]+ 384.05313 160.1
[M]- 384.05423 160.1
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