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]+ 181.06708 136.0
[M+Na]+ 203.04902 141.8
[M-H]- 179.05252 135.8
[M+NH4]+ 198.09362 150.5
[M+K]+ 219.02296 144.3
[M+H-H2O]+ 163.05706 126.2
[M+HCOO]- 225.05800 152.5
[M+CH3COO]- 239.07365 180.2
[M+Na-2H]- 201.03447 141.1
[M]+ 180.05925 141.9
[M]- 180.06035 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.