CID 165362589

4:3 ftuca

Structural Information

Molecular Formula
C7H3F9O2
SMILES
C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\C(=O)O
InChI
InChI=1S/C7H3F9O2/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H,(H,17,18)/b2-1+
InChIKey
OYQPFWFQTWYFRR-OWOJBTEDSA-N
Compound name
(E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.99893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.006206 149.0
[M+Na]+ 312.988148 157.9
[M-H]- 288.991654 137.4
[M+NH4]+ 308.032753 163.2
[M+K]+ 328.962088 154.8
[M+H-H2O]+ 272.996190 138.7
[M+HCOO]- 334.997131 155.1
[M+CH3COO]- 349.012781 197.0
[M+Na-2H]- 310.973596 152.2
[M]+ 289.99838142 134.9
[M]- 289.99947858 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.