CID 11355644

Methyl 2,2,3,3-tetrafluoropropionate

Structural Information

Molecular Formula
C4H4F4O2
SMILES
COC(=O)C(C(F)F)(F)F
InChI
InChI=1S/C4H4F4O2/c1-10-3(9)4(7,8)2(5)6/h2H,1H3
InChIKey
WTZYOEZOPLDMKT-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

495
Patents

160.01474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02202 123.6
[M+Na]+ 183.00396 132.2
[M-H]- 159.00746 119.2
[M+NH4]+ 178.04856 144.3
[M+K]+ 198.97790 132.4
[M+H-H2O]+ 143.01200 116.4
[M+HCOO]- 205.01294 141.0
[M+CH3COO]- 219.02859 176.7
[M+Na-2H]- 180.98941 127.7
[M]+ 160.01419 119.4
[M]- 160.01529 119.4
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