CID 165971207

Methyl 3-(3,3-difluorocyclobutyl)-2-hydroxypropanoate

Structural Information

Molecular Formula
C8H12F2O3
SMILES
COC(=O)C(CC1CC(C1)(F)F)O
InChI
InChI=1S/C8H12F2O3/c1-13-7(12)6(11)2-5-3-8(9,10)4-5/h5-6,11H,2-4H2,1H3
InChIKey
NPEKUURNFAETGE-UHFFFAOYSA-N
Compound name
methyl 3-(3,3-difluorocyclobutyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 141.5
[M+Na]+ 217.06467 147.2
[M-H]- 193.06817 141.3
[M+NH4]+ 212.10927 155.6
[M+K]+ 233.03861 149.5
[M+H-H2O]+ 177.07271 131.1
[M+HCOO]- 239.07365 158.1
[M+CH3COO]- 253.08930 184.2
[M+Na-2H]- 215.05012 143.3
[M]+ 194.07490 147.8
[M]- 194.07600 147.8
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

No patent data available for this compound.