CID 165837596

2229325-69-1

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]+ 181.067076 138.4
[M+Na]+ 203.049018 143.9
[M-H]- 179.052524 136.9
[M+NH4]+ 198.093623 152.2
[M+K]+ 219.022958 145.6
[M+H-H2O]+ 163.057060 128.2
[M+HCOO]- 225.058001 153.8
[M+CH3COO]- 239.073651 179.4
[M+Na-2H]- 201.034466 140.0
[M]+ 180.05925142 142.6
[M]- 180.06034858 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.