CID 62398254

2,2-difluoro-3-hydroxy-4-methylpentanoic acid

Structural Information

Molecular Formula
C6H10F2O3
SMILES
CC(C)C(C(C(=O)O)(F)F)O
InChI
InChI=1S/C6H10F2O3/c1-3(2)4(9)6(7,8)5(10)11/h3-4,9H,1-2H3,(H,10,11)
InChIKey
RPDGATXUWOOFSA-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-hydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.0598 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06708 131.7
[M+Na]+ 191.04902 138.2
[M-H]- 167.05252 126.9
[M+NH4]+ 186.09362 150.6
[M+K]+ 207.02296 137.9
[M+H-H2O]+ 151.05706 126.4
[M+HCOO]- 213.05800 146.8
[M+CH3COO]- 227.07365 175.3
[M+Na-2H]- 189.03447 133.7
[M]+ 168.05925 127.9
[M]- 168.06035 127.9
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