CID 10773173

2,2-difluoro-3-hydroxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H8F2O3
SMILES
CC(C)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C5H8F2O3/c1-4(2,10)5(6,7)3(8)9/h10H,1-2H3,(H,8,9)
InChIKey
NVFCMUVYZLXDKX-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

154.04414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 126.7
[M+Na]+ 177.03336 134.4
[M-H]- 153.03686 122.2
[M+NH4]+ 172.07796 146.4
[M+K]+ 193.00730 133.9
[M+H-H2O]+ 137.04140 122.1
[M+HCOO]- 199.04234 142.5
[M+CH3COO]- 213.05799 170.9
[M+Na-2H]- 175.01881 132.6
[M]+ 154.04359 123.3
[M]- 154.04469 123.3
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