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]+ 167.051416 125.3
[M+Na]+ 189.033358 133.7
[M-H]- 165.036864 124.9
[M+NH4]+ 184.077963 139.5
[M+K]+ 205.007298 131.2
[M+H-H2O]+ 149.041400 119.0
[M+HCOO]- 211.042341 142.0
[M+CH3COO]- 225.057991 176.5
[M+Na-2H]- 187.018806 129.6
[M]+ 166.04359142 123.8
[M]- 166.04468858 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.