CID 2760316

1h,1h-perfluoro-n-decyl acrylate

Structural Information

Molecular Formula
C13H5F19O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H5F19O2/c1-2-4(33)34-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h2H,1,3H2
InChIKey
QPVJROJBHCURKR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

213
Patents

553.9986 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.00588 176.5
[M+Na]+ 576.98782 182.3
[M-H]- 552.99132 185.8
[M+NH4]+ 572.03242 188.4
[M+K]+ 592.96176 192.2
[M+H-H2O]+ 536.99586 165.8
[M+HCOO]- 598.99680 195.5
[M+CH3COO]- 613.01245 244.9
[M+Na-2H]- 574.97327 176.5
[M]+ 553.99805 175.3
[M]- 553.99915 175.3
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