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]+ 151.05652 123.7
[M+Na]+ 173.03846 134.7
[M-H]- 149.04196 125.6
[M+NH4]+ 168.08306 143.4
[M+K]+ 189.01240 133.8
[M+H-H2O]+ 133.04650 119.6
[M+HCOO]- 195.04744 143.3
[M+CH3COO]- 209.06309 176.4
[M+Na-2H]- 171.02391 130.5
[M]+ 150.04869 125.0
[M]- 150.04979 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