CID 14695229

128073-33-6

Structural Information

Molecular Formula
C5H6F2O2
SMILES
CC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKey
HLFLYOQLHYYNLT-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

136.03358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 119.5
[M+Na]+ 159.022798 130.9
[M-H]- 135.026304 121.5
[M+NH4]+ 154.067403 139.7
[M+K]+ 174.996738 130.2
[M+H-H2O]+ 119.030840 115.5
[M+HCOO]- 181.031781 139.4
[M+CH3COO]- 195.047431 173.6
[M+Na-2H]- 157.008246 126.7
[M]+ 136.03303142 120.4
[M]- 136.03412858 120.4
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