CID 71411375

Methyl 4,4,5,5,6,6,6-heptafluoro-2-methylhex-2-enoate

Structural Information

Molecular Formula
C8H7F7O2
SMILES
CC(=CC(C(C(F)(F)F)(F)F)(F)F)C(=O)OC
InChI
InChI=1S/C8H7F7O2/c1-4(5(16)17-2)3-6(9,10)7(11,12)8(13,14)15/h3H,1-2H3
InChIKey
LRMSPWCOOHABFD-UHFFFAOYSA-N
Compound name
methyl 4,4,5,5,6,6,6-heptafluoro-2-methylhex-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.03342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04070 147.4
[M+Na]+ 291.02264 155.7
[M-H]- 267.02614 139.2
[M+NH4]+ 286.06724 163.5
[M+K]+ 306.99658 154.1
[M+H-H2O]+ 251.03068 138.0
[M+HCOO]- 313.03162 157.4
[M+CH3COO]- 327.04727 196.1
[M+Na-2H]- 289.00809 149.6
[M]+ 268.03287 138.4
[M]- 268.03397 138.4
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.