CID 62397463

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

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC(C1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C6H8F2O3/c7-6(8,4(9)10)5(11)2-1-3-5/h11H,1-3H2,(H,9,10)
InChIKey
OTAIIWWWPNARPR-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.04414 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 133.0
[M+Na]+ 189.03336 138.8
[M-H]- 165.03686 131.6
[M+NH4]+ 184.07796 147.3
[M+K]+ 205.00730 140.6
[M+H-H2O]+ 149.04140 123.5
[M+HCOO]- 211.04234 148.3
[M+CH3COO]- 225.05799 174.8
[M+Na-2H]- 187.01881 138.0
[M]+ 166.04359 136.7
[M]- 166.04469 136.7
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