CID 139414586

2-(3,3-difluoro-1-hydroxycyclobutyl)acetic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1C(CC1(F)F)(CC(=O)O)O
InChI
InChI=1S/C6H8F2O3/c7-6(8)2-5(11,3-6)1-4(9)10/h11H,1-3H2,(H,9,10)
InChIKey
RLFGPSQCTBKQKI-UHFFFAOYSA-N
Compound name
2-(3,3-difluoro-1-hydroxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 132.9
[M+Na]+ 189.03336 140.1
[M-H]- 165.03686 132.1
[M+NH4]+ 184.07796 149.4
[M+K]+ 205.00730 141.6
[M+H-H2O]+ 149.04140 124.6
[M+HCOO]- 211.04234 149.7
[M+CH3COO]- 225.05799 175.5
[M+Na-2H]- 187.01881 137.7
[M]+ 166.04359 137.9
[M]- 166.04469 137.9
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