CID 14049931

Ethyl 2,2-difluoropent-4-enoate

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CCOC(=O)C(CC=C)(F)F
InChI
InChI=1S/C7H10F2O2/c1-3-5-7(8,9)6(10)11-4-2/h3H,1,4-5H2,2H3
InChIKey
YWORETBGSIWDRB-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoropent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

164.06488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 131.2
[M+Na]+ 187.05410 139.0
[M-H]- 163.05760 129.0
[M+NH4]+ 182.09870 152.0
[M+K]+ 203.02804 138.3
[M+H-H2O]+ 147.06214 125.5
[M+HCOO]- 209.06308 151.0
[M+CH3COO]- 223.07873 178.2
[M+Na-2H]- 185.03955 136.2
[M]+ 164.06433 130.8
[M]- 164.06543 130.8
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