CID 3019400

83846-71-3

Structural Information

Molecular Formula
C10H8F10O2
SMILES
COC(=O)C(CC=C)(C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H8F10O2/c1-3-4-6(5(21)22-2,9(15,16)17)7(11,12)8(13,14)10(18,19)20/h3H,1,4H2,2H3
InChIKey
CZHAQBXHTVRAAA-UHFFFAOYSA-N
Compound name
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(trifluoromethyl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.03647 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04375 165.1
[M+Na]+ 373.02569 173.7
[M-H]- 349.02919 153.7
[M+NH4]+ 368.07029 177.6
[M+K]+ 388.99963 171.0
[M+H-H2O]+ 333.03373 153.8
[M+HCOO]- 395.03467 169.2
[M+CH3COO]- 409.05032 211.1
[M+Na-2H]- 371.01114 167.9
[M]+ 350.03592 151.7
[M]- 350.03702 151.7
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.