CID 83666

2,2,3,3,4,4,4-heptafluorobutyl methacrylate

Structural Information

Molecular Formula
C8H7F7O2
SMILES
CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3
InChIKey
VIEHKBXCWMMOOU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2716
Patents

268.03342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04070 147.2
[M+Na]+ 291.02264 155.5
[M-H]- 267.02614 139.0
[M+NH4]+ 286.06724 163.3
[M+K]+ 306.99658 153.8
[M+H-H2O]+ 251.03068 137.8
[M+HCOO]- 313.03162 157.2
[M+CH3COO]- 327.04727 196.8
[M+Na-2H]- 289.00809 149.5
[M]+ 268.03287 138.3
[M]- 268.03397 138.3
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