CID 9817457

Nonafluorobutyl prop-2-enoate

Structural Information

Molecular Formula
C7H3F9O2
SMILES
C=CC(=O)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F9O2/c1-2-3(17)18-7(15,16)5(10,11)4(8,9)6(12,13)14/h2H,1H2
InChIKey
YBYBMKRSCHZIFU-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

659
Patents

289.99893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00621 148.9
[M+Na]+ 312.98815 158.2
[M-H]- 288.99165 138.6
[M+NH4]+ 308.03275 163.8
[M+K]+ 328.96209 156.0
[M+H-H2O]+ 272.99619 138.3
[M+HCOO]- 334.99713 156.4
[M+CH3COO]- 349.01278 199.6
[M+Na-2H]- 310.97360 152.5
[M]+ 289.99838 136.6
[M]- 289.99948 136.6
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