CID 11843583

2,2-difluoro-3,3-dimethylpent-4-enoic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC(C)(C=C)C(C(=O)O)(F)F
InChI
InChI=1S/C7H10F2O2/c1-4-6(2,3)7(8,9)5(10)11/h4H,1H2,2-3H3,(H,10,11)
InChIKey
QUIIZMLRXFMPTC-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,3-dimethylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.06488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 130.6
[M+Na]+ 187.054098 138.4
[M-H]- 163.057604 127.3
[M+NH4]+ 182.098703 150.7
[M+K]+ 203.028038 137.2
[M+H-H2O]+ 147.062140 125.8
[M+HCOO]- 209.063081 147.3
[M+CH3COO]- 223.078731 176.6
[M+Na-2H]- 185.039546 136.0
[M]+ 164.06433142 127.8
[M]- 164.06542858 127.8
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