CID 3013855

307-87-9

Structural Information

Molecular Formula
C12H5F17O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
InChIKey
BZYSOYLWVDQYMZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

99
Patents

504.0018 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.00908 168.7
[M+Na]+ 526.99102 175.2
[M-H]- 502.99452 176.7
[M+NH4]+ 522.03562 179.8
[M+K]+ 542.96496 183.2
[M+H-H2O]+ 486.99906 159.1
[M+HCOO]- 549.00000 188.3
[M+CH3COO]- 563.01565 237.5
[M+Na-2H]- 524.97647 168.5
[M]+ 504.00125 167.7
[M]- 504.00235 167.7
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

patents stripe