CID 165837596

3-(3,3-difluorocyclobutyl)-2-hydroxypropanoicacid

Structural Information

Molecular Formula
C7H10F2O3
SMILES
C1C(CC1(F)F)CC(C(=O)O)O
InChI
InChI=1S/C7H10F2O3/c8-7(9)2-4(3-7)1-5(10)6(11)12/h4-5,10H,1-3H2,(H,11,12)
InChIKey
BCDSEZOXMASACG-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 138.4
[M+Na]+ 203.04902 143.9
[M-H]- 179.05252 136.9
[M+NH4]+ 198.09362 152.2
[M+K]+ 219.02296 145.6
[M+H-H2O]+ 163.05706 128.2
[M+HCOO]- 225.05800 153.8
[M+CH3COO]- 239.07365 179.4
[M+Na-2H]- 201.03447 140.0
[M]+ 180.05925 142.6
[M]- 180.06035 142.6
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.