CID 62398454

3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC1C(C(C(=O)O)(F)F)O
InChI
InChI=1S/C6H8F2O3/c7-6(8,5(10)11)4(9)3-1-2-3/h3-4,9H,1-2H2,(H,10,11)
InChIKey
BZJCVJPVUQUNSV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 125.3
[M+Na]+ 189.03336 133.7
[M-H]- 165.03686 124.9
[M+NH4]+ 184.07796 139.5
[M+K]+ 205.00730 131.2
[M+H-H2O]+ 149.04140 119.0
[M+HCOO]- 211.04234 142.0
[M+CH3COO]- 225.05799 176.5
[M+Na-2H]- 187.01881 129.6
[M]+ 166.04359 123.8
[M]- 166.04469 123.8
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.