CID 155970276

2624140-52-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.0598 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.067076 136.6
[M+Na]+ 203.049018 142.6
[M-H]- 179.052524 136.5
[M+NH4]+ 198.093623 151.2
[M+K]+ 219.022958 145.1
[M+H-H2O]+ 163.057060 126.4
[M+HCOO]- 225.058001 153.5
[M+CH3COO]- 239.073651 181.9
[M+Na-2H]- 201.034466 138.9
[M]+ 180.05925142 142.7
[M]- 180.06034858 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

patents stripe