CID 130738891

1935356-92-5

Structural Information

Molecular Formula
C7H10BrFO2
SMILES
COC(=O)C1CC(C1)(CBr)F
InChI
InChI=1S/C7H10BrFO2/c1-11-6(10)5-2-7(9,3-5)4-8/h5H,2-4H2,1H3
InChIKey
VVOPMJFARWUIQO-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)-3-fluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99210 132.5
[M+Na]+ 246.97404 142.7
[M-H]- 222.97754 137.8
[M+NH4]+ 242.01864 150.3
[M+K]+ 262.94798 136.2
[M+H-H2O]+ 206.98208 129.2
[M+HCOO]- 268.98302 150.8
[M+CH3COO]- 282.99867 188.3
[M+Na-2H]- 244.95949 139.0
[M]+ 223.98427 158.4
[M]- 223.98537 158.4
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.