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

70
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 118.6
[M+Na]+ 159.022798 128.4
[M-H]- 135.026304 119.9
[M+NH4]+ 154.067403 134.9
[M+K]+ 174.996738 126.2
[M+H-H2O]+ 119.030840 111.8
[M+HCOO]- 181.031781 138.3
[M+CH3COO]- 195.047431 175.0
[M+Na-2H]- 157.008246 122.4
[M]+ 136.03303142 117.9
[M]- 136.03412858 117.9
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