CID 15930160

Ethyl 4,4-difluoro-3-methylbut-2-enoate

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CCOC(=O)/C=C(\C)/C(F)F
InChI
InChI=1S/C7H10F2O2/c1-3-11-6(10)4-5(2)7(8)9/h4,7H,3H2,1-2H3/b5-4+
InChIKey
SEXJBDFDPSUHHP-SNAWJCMRSA-N
Compound name
ethyl (E)-4,4-difluoro-3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.06488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 132.2
[M+Na]+ 187.05410 139.1
[M-H]- 163.05760 129.9
[M+NH4]+ 182.09870 152.8
[M+K]+ 203.02804 139.0
[M+H-H2O]+ 147.06214 125.9
[M+HCOO]- 209.06308 151.5
[M+CH3COO]- 223.07873 179.0
[M+Na-2H]- 185.03955 133.9
[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

No literature data available for this compound.

Patent stripe

patents stripe