CID 155822300

2551117-46-3

Structural Information

Molecular Formula
C7H10F2O3
SMILES
COC1(CC(C1)C(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O3/c1-12-7(6(10)11)2-4(3-7)5(8)9/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
MOEUNIZQBCFNCO-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-methoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 136.6
[M+Na]+ 203.04902 142.6
[M-H]- 179.05252 136.5
[M+NH4]+ 198.09362 151.2
[M+K]+ 219.02296 145.1
[M+H-H2O]+ 163.05706 126.4
[M+HCOO]- 225.05800 153.5
[M+CH3COO]- 239.07365 181.9
[M+Na-2H]- 201.03447 138.9
[M]+ 180.05925 142.7
[M]- 180.06035 142.7
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.