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
2
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]+ 334.996046 156.2
[M+Na]+ 356.977988 164.6
[M-H]- 332.981494 144.4
[M+NH4]+ 352.022593 150.3
[M+K]+ 372.951928 162.4
[M+H-H2O]+ 316.986030 145.7
[M+HCOO]- 378.986971 161.8
[M+CH3COO]- 393.002621 203.0
[M+Na-2H]- 354.963436 158.5
[M]+ 333.98822142 144.0
[M]- 333.98931858 144.0
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.