CID 2779093

36915-03-4

Structural Information

Molecular Formula
C11H11F9O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H11F9O3/c1-5(2)7(22)23-4-6(21)3-8(12,13)9(14,15)10(16,17)11(18,19)20/h6,21H,1,3-4H2,2H3
InChIKey
BCTGGJURYOEMFV-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

362.05646 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06374 167.5
[M+Na]+ 385.04568 174.3
[M-H]- 361.04918 155.3
[M+NH4]+ 380.09028 163.8
[M+K]+ 401.01962 171.9
[M+H-H2O]+ 345.05372 156.7
[M+HCOO]- 407.05466 169.7
[M+CH3COO]- 421.07031 212.0
[M+Na-2H]- 383.03113 167.0
[M]+ 362.05591 155.0
[M]- 362.05701 155.0
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