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

661
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

literature stripe

Patent stripe

patents stripe