CID 23263286

56376-19-3

Structural Information

Molecular Formula
C7H7F7NO4P
SMILES
COP(=O)(OC)OC(C#N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7NO4P/c1-17-20(16,18-2)19-4(3-15)5(8,9)6(10,11)7(12,13)14/h4H,1-2H3
InChIKey
PYRWFCOUAZNFQC-UHFFFAOYSA-N
Compound name
(1-cyano-2,2,3,3,4,4,4-heptafluorobutyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

333.0001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00738 152.7
[M+Na]+ 355.98932 161.1
[M-H]- 331.99282 144.6
[M+NH4]+ 351.03392 165.0
[M+K]+ 371.96326 162.5
[M+H-H2O]+ 315.99736 135.4
[M+HCOO]- 377.99830 165.4
[M+CH3COO]- 392.01395 216.6
[M+Na-2H]- 353.97477 156.0
[M]+ 332.99955 143.9
[M]- 333.00065 143.9
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

patents stripe