CID 146155096

2416230-04-9

Structural Information

Molecular Formula
C7H9BrF2O2
SMILES
COC(=O)C1(CC(C1)(F)F)CBr
InChI
InChI=1S/C7H9BrF2O2/c1-12-5(11)6(4-8)2-7(9,10)3-6/h2-4H2,1H3
InChIKey
SFYVOAYDKQGBFF-UHFFFAOYSA-N
Compound name
methyl 1-(bromomethyl)-3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98268 154.1
[M+Na]+ 264.96462 150.7
[M+NH4]+ 260.00922 156.1
[M+K]+ 280.93856 149.9
[M-H]- 240.96812 148.6
[M+Na-2H]- 262.95007 153.9
[M]+ 241.97485 150.0
[M]- 241.97595 150.0
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.