CID 57048281

6,6-difluoro-5-methylhex-5-enoic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC(=C(F)F)CCCC(=O)O
InChI
InChI=1S/C7H10F2O2/c1-5(7(8)9)3-2-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKey
JRUZCVZSNOKLAV-UHFFFAOYSA-N
Compound name
6,6-difluoro-5-methylhex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.06488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 132.9
[M+Na]+ 187.054098 139.3
[M-H]- 163.057604 129.1
[M+NH4]+ 182.098703 152.6
[M+K]+ 203.028038 138.2
[M+H-H2O]+ 147.062140 126.8
[M+HCOO]- 209.063081 150.7
[M+CH3COO]- 223.078731 177.0
[M+Na-2H]- 185.039546 134.0
[M]+ 164.06433142 129.6
[M]- 164.06542858 129.6
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