CID 137964703

1-cyclobutyl-2,2-difluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1CC(C1)C2(CC2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-8(10)4-7(8,6(11)12)5-2-1-3-5/h5H,1-4H2,(H,11,12)
InChIKey
FHJWAZKWSRFJHJ-UHFFFAOYSA-N
Compound name
1-cyclobutyl-2,2-difluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 133.1
[M+Na]+ 199.05410 141.6
[M-H]- 175.05760 137.5
[M+NH4]+ 194.09870 145.4
[M+K]+ 215.02804 142.9
[M+H-H2O]+ 159.06214 124.2
[M+HCOO]- 221.06308 150.4
[M+CH3COO]- 235.07873 183.7
[M+Na-2H]- 197.03955 138.1
[M]+ 176.06433 140.5
[M]- 176.06543 140.5
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.