CID 138395046

Mono(perfluorobutyl) maleate

Structural Information

Molecular Formula
C8H3F9O4
SMILES
C(=C\C(=O)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\C(=O)O
InChI
InChI=1S/C8H3F9O4/c9-5(10,7(13,14)15)6(11,12)8(16,17)21-4(20)2-1-3(18)19/h1-2H,(H,18,19)/b2-1-
InChIKey
BIPJUKYFQIKGRW-UPHRSURJSA-N
Compound name
(Z)-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.98877 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99605 188.4
[M+Na]+ 356.97799 188.3
[M+NH4]+ 352.02259 186.7
[M+K]+ 372.95193 186.6
[M-H]- 332.98149 179.0
[M+Na-2H]- 354.96344 184.2
[M]+ 333.98822 185.2
[M]- 333.98932 185.2
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.