CID 146075383

2228753-46-4

Structural Information

Molecular Formula
C6H8F2O3
SMILES
COCC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O3/c1-11-3-5(4(9)10)2-6(5,7)8/h2-3H2,1H3,(H,9,10)
InChIKey
NUCHOBCGIHRWBG-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(methoxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 127.4
[M+Na]+ 189.03336 138.3
[M-H]- 165.03686 129.2
[M+NH4]+ 184.07796 146.4
[M+K]+ 205.00730 137.7
[M+H-H2O]+ 149.04140 123.1
[M+HCOO]- 211.04234 147.1
[M+CH3COO]- 225.05799 178.4
[M+Na-2H]- 187.01881 134.1
[M]+ 166.04359 130.1
[M]- 166.04469 130.1
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.