CID 137698959

1-ethyl-2,2-difluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
CCC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O2/c1-2-5(4(9)10)3-6(5,7)8/h2-3H2,1H3,(H,9,10)
InChIKey
MYIVOOUQPSYSRS-UHFFFAOYSA-N
Compound name
1-ethyl-2,2-difluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 123.7
[M+Na]+ 173.038458 134.7
[M-H]- 149.041964 125.6
[M+NH4]+ 168.083063 143.4
[M+K]+ 189.012398 133.8
[M+H-H2O]+ 133.046500 119.6
[M+HCOO]- 195.047441 143.3
[M+CH3COO]- 209.063091 176.4
[M+Na-2H]- 171.023906 130.5
[M]+ 150.04869142 125.0
[M]- 150.04978858 125.0
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