CID 297309

102338-71-6

Structural Information

Molecular Formula
C9H12ClF6O3P
SMILES
CC(C)(C)C1CC(OP(=O)(O1)Cl)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H12ClF6O3P/c1-6(2,3)5-4-7(8(11,12)13,9(14,15)16)19-20(10,17)18-5/h5H,4H2,1-3H3
InChIKey
OFNLVYSEXFAWSB-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-chloro-4,4-bis(trifluoromethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0117 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01898 164.2
[M+Na]+ 371.00092 174.7
[M-H]- 347.00442 161.2
[M+NH4]+ 366.04552 180.7
[M+K]+ 386.97486 173.8
[M+H-H2O]+ 331.00896 155.7
[M+HCOO]- 393.00990 173.4
[M+CH3COO]- 407.02555 206.4
[M+Na-2H]- 368.98637 169.7
[M]+ 348.01115 160.4
[M]- 348.01225 160.4
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.