CID 71411365

Methyl 2,3,4,4,5,5,6,6,6-nonafluorohex-2-enoate

Structural Information

Molecular Formula
C7H3F9O2
SMILES
COC(=O)C(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C7H3F9O2/c1-18-4(17)2(8)3(9)5(10,11)6(12,13)7(14,15)16/h1H3
InChIKey
BMZXVEHIABGCAD-UHFFFAOYSA-N
Compound name
methyl 2,3,4,4,5,5,6,6,6-nonafluorohex-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.99893 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00621 147.7
[M+Na]+ 312.98815 156.3
[M-H]- 288.99165 137.2
[M+NH4]+ 308.03275 162.5
[M+K]+ 328.96209 154.5
[M+H-H2O]+ 272.99619 136.8
[M+HCOO]- 334.99713 154.9
[M+CH3COO]- 349.01278 199.9
[M+Na-2H]- 310.97360 148.1
[M]+ 289.99838 134.8
[M]- 289.99948 134.8
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.