CID 2776049

2-propenoic acid, (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl ester

Structural Information

Molecular Formula
C10H5F11O2
SMILES
C=CC(=O)OCC1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H5F11O2/c1-2-4(22)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2
InChIKey
OZGWOALFBHODRB-UHFFFAOYSA-N
Compound name
(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

347
Patents

366.01138 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01866 148.3
[M+Na]+ 389.00060 163.5
[M-H]- 365.00410 141.2
[M+NH4]+ 384.04520 172.0
[M+K]+ 404.97454 160.3
[M+H-H2O]+ 349.00864 140.7
[M+HCOO]- 411.00958 156.6
[M+CH3COO]- 425.02523 214.4
[M+Na-2H]- 386.98605 151.5
[M]+ 366.01083 136.9
[M]- 366.01193 136.9
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