CID 13707538

Ethyl 2-bromo-1-phenylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C12H13BrO2
SMILES
CCOC(=O)C1(CC1Br)C2=CC=CC=C2
InChI
InChI=1S/C12H13BrO2/c1-2-15-11(14)12(8-10(12)13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
NSLRDTXBNJRJKS-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0099 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.017176 151.7
[M+Na]+ 290.999118 164.4
[M-H]- 267.002624 161.8
[M+NH4]+ 286.043723 169.3
[M+K]+ 306.973058 154.2
[M+H-H2O]+ 251.007160 152.0
[M+HCOO]- 313.008101 172.7
[M+CH3COO]- 327.023751 195.5
[M+Na-2H]- 288.984566 158.8
[M]+ 268.00935142 173.7
[M]- 268.01044858 173.7
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.