CID 137964698

2,2-difluoro-1-(oxan-4-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12F2O3
SMILES
C1COCCC1C2(CC2(F)F)C(=O)O
InChI
InChI=1S/C9H12F2O3/c10-9(11)5-8(9,7(12)13)6-1-3-14-4-2-6/h6H,1-5H2,(H,12,13)
InChIKey
NCHNIUIRMLCYPT-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(oxan-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08273 138.8
[M+Na]+ 229.06467 147.1
[M-H]- 205.06817 143.2
[M+NH4]+ 224.10927 154.5
[M+K]+ 245.03861 147.6
[M+H-H2O]+ 189.07271 133.0
[M+HCOO]- 251.07365 154.0
[M+CH3COO]- 265.08930 183.7
[M+Na-2H]- 227.05012 144.5
[M]+ 206.07490 136.9
[M]- 206.07600 136.9
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.