CID 2735869

53378-90-8

Structural Information

Molecular Formula
C10H5F13O2
SMILES
C=CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13O2/c1-2-3-25-4(24)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2
InChIKey
DASVACNPTZCVQR-UHFFFAOYSA-N
Compound name
prop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

404.0082 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01548 174.7
[M+Na]+ 426.99742 183.6
[M-H]- 403.00092 158.9
[M+NH4]+ 422.04202 163.0
[M+K]+ 442.97136 180.4
[M+H-H2O]+ 387.00546 161.3
[M+HCOO]- 449.00640 174.4
[M+CH3COO]- 463.02205 220.8
[M+Na-2H]- 424.98287 176.9
[M]+ 404.00765 153.5
[M]- 404.00875 153.5
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

patents stripe