CID 137951589

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

Structural Information

Molecular Formula
C7H10F2O3
SMILES
COC1(CCC1)C(C(=O)O)(F)F
InChI
InChI=1S/C7H10F2O3/c1-12-6(3-2-4-6)7(8,9)5(10)11/h2-4H2,1H3,(H,10,11)
InChIKey
UJRGDSWGWVEGCO-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-methoxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.067076 136.0
[M+Na]+ 203.049018 141.8
[M-H]- 179.052524 135.8
[M+NH4]+ 198.093623 150.5
[M+K]+ 219.022958 144.3
[M+H-H2O]+ 163.057060 126.2
[M+HCOO]- 225.058001 152.5
[M+CH3COO]- 239.073651 180.2
[M+Na-2H]- 201.034466 141.1
[M]+ 180.05925142 141.9
[M]- 180.06034858 141.9
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.