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 135.7
[M+Na]+ 264.96462 146.8
[M-H]- 240.96812 140.2
[M+NH4]+ 260.00922 154.6
[M+K]+ 280.93856 139.9
[M+H-H2O]+ 224.97266 133.1
[M+HCOO]- 286.97360 153.1
[M+CH3COO]- 300.98925 190.6
[M+Na-2H]- 262.95007 142.7
[M]+ 241.97485 160.9
[M]- 241.97595 160.9
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.