CID 45084724

131262-35-6

Structural Information

Molecular Formula
C6H8F2O2
SMILES
CC1(C(C1(F)F)C(=O)O)C
InChI
InChI=1S/C6H8F2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKey
BNACPCLAGCBIHL-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,3-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 122.1
[M+Na]+ 173.038458 133.9
[M-H]- 149.041964 124.3
[M+NH4]+ 168.083063 142.0
[M+K]+ 189.012398 133.0
[M+H-H2O]+ 133.046500 118.3
[M+HCOO]- 195.047441 141.6
[M+CH3COO]- 209.063091 177.6
[M+Na-2H]- 171.023906 128.3
[M]+ 150.04869142 123.7
[M]- 150.04978858 123.7
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

No patent data available for this compound.