CID 55302003

2-(difluoromethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C1C(C1C(=O)O)C(F)F
InChI
InChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)
InChIKey
AQPYFAYLGMEWCD-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 129.7
[M+Na]+ 159.02280 138.5
[M+NH4]+ 154.06740 136.2
[M+K]+ 174.99674 136.8
[M-H]- 135.02630 133.0
[M+Na-2H]- 157.00825 134.3
[M]+ 136.03303 132.4
[M]- 136.03413 132.4
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