CID 389111

Nsc684796

Structural Information

Molecular Formula
C9H15F6O3P
SMILES
CC(C)OP(=O)(C(C(F)(F)F)C(F)(F)F)OC(C)C
InChI
InChI=1S/C9H15F6O3P/c1-5(2)17-19(16,18-6(3)4)7(8(10,11)12)9(13,14)15/h5-7H,1-4H3
InChIKey
ATYMUVUKQLLYOL-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0663 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07358 166.5
[M+Na]+ 339.05552 173.4
[M-H]- 315.05902 158.2
[M+NH4]+ 334.10012 166.6
[M+K]+ 355.02946 173.3
[M+H-H2O]+ 299.06356 155.4
[M+HCOO]- 361.06450 181.4
[M+CH3COO]- 375.08015 207.3
[M+Na-2H]- 337.04097 164.8
[M]+ 316.06575 162.6
[M]- 316.06685 162.6
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.