CID 119030974

Methyl 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C11H10BrFO2
SMILES
COC(=O)C1(CC1)C2=CC(=CC(=C2)Br)F
InChI
InChI=1S/C11H10BrFO2/c1-15-10(14)11(2-3-11)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3
InChIKey
BRCKPPXXLUSYAW-UHFFFAOYSA-N
Compound name
methyl 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.98483 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99211 149.1
[M+Na]+ 294.97405 163.0
[M-H]- 270.97755 158.4
[M+NH4]+ 290.01865 166.7
[M+K]+ 310.94799 152.4
[M+H-H2O]+ 254.98209 148.8
[M+HCOO]- 316.98303 169.4
[M+CH3COO]- 330.99868 196.2
[M+Na-2H]- 292.95950 155.5
[M]+ 271.98428 170.1
[M]- 271.98538 170.1
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.