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]+ 165.072156 132.2
[M+Na]+ 187.054098 139.1
[M-H]- 163.057604 129.9
[M+NH4]+ 182.098703 152.8
[M+K]+ 203.028038 139.0
[M+H-H2O]+ 147.062140 125.9
[M+HCOO]- 209.063081 151.5
[M+CH3COO]- 223.078731 179.0
[M+Na-2H]- 185.039546 133.9
[M]+ 164.06433142 130.8
[M]- 164.06542858 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