CID 10037589

168101-83-5

Structural Information

Molecular Formula
C8H10ClF3O3
SMILES
CCOC(=O)C(C(F)(F)F)(OCC=C)Cl
InChI
InChI=1S/C8H10ClF3O3/c1-3-5-15-7(9,8(10,11)12)6(13)14-4-2/h3H,1,4-5H2,2H3
InChIKey
FYDCPBKCJANXFC-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-3,3,3-trifluoro-2-prop-2-enoxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

246.02705 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03433 145.0
[M+Na]+ 269.01627 153.7
[M-H]- 245.01977 141.7
[M+NH4]+ 264.06087 163.4
[M+K]+ 284.99021 151.0
[M+H-H2O]+ 229.02431 139.4
[M+HCOO]- 291.02525 157.8
[M+CH3COO]- 305.04090 189.6
[M+Na-2H]- 267.00172 149.7
[M]+ 246.02650 146.4
[M]- 246.02760 146.4
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