CID 15374706

Heptadecafluorooctyl prop-2-enoate

Structural Information

Molecular Formula
C11H3F17O2
SMILES
C=CC(=O)OC(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/C11H3F17O2/c1-2-3(29)30-11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H,1H2
InChIKey
OFHKMSIZNZJZKM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2029
Patents

489.98615 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.99343 165.0
[M+Na]+ 512.97537 171.7
[M-H]- 488.97887 173.3
[M+NH4]+ 508.01997 176.1
[M+K]+ 528.94931 179.3
[M+H-H2O]+ 472.98341 155.5
[M+HCOO]- 534.98435 184.9
[M+CH3COO]- 549.00000 235.0
[M+Na-2H]- 510.96082 165.2
[M]+ 489.98560 164.0
[M]- 489.98670 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe