CID 3057163

73972-74-4

Structural Information

Molecular Formula
C11H18ClF4O4P
SMILES
CCCCOP(=O)(OCCCC)OC(=C(F)F)C(F)(F)Cl
InChI
InChI=1S/C11H18ClF4O4P/c1-3-5-7-18-21(17,19-8-6-4-2)20-9(10(13)14)11(12,15)16/h3-8H2,1-2H3
InChIKey
WCUPOZAWCODDFB-UHFFFAOYSA-N
Compound name
dibutyl (3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.05673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06401 174.6
[M+Na]+ 379.04595 181.4
[M-H]- 355.04945 168.3
[M+NH4]+ 374.09055 189.1
[M+K]+ 395.01989 178.3
[M+H-H2O]+ 339.05399 165.0
[M+HCOO]- 401.05493 189.8
[M+CH3COO]- 415.07058 211.5
[M+Na-2H]- 377.03140 173.2
[M]+ 356.05618 178.6
[M]- 356.05728 178.6
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.