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

15
Patents

166.04414 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.051416 133.0
[M+Na]+ 189.033358 138.8
[M-H]- 165.036864 131.6
[M+NH4]+ 184.077963 147.3
[M+K]+ 205.007298 140.6
[M+H-H2O]+ 149.041400 123.5
[M+HCOO]- 211.042341 148.3
[M+CH3COO]- 225.057991 174.8
[M+Na-2H]- 187.018806 138.0
[M]+ 166.04359142 136.7
[M]- 166.04468858 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