CID 154577328

Methyl 3-(4-bromophenyl)bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula
C12H11BrO2
SMILES
COC(=O)C12CC1(C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H11BrO2/c1-15-10(14)12-6-11(12,7-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChIKey
QWUBUSSRNOEKHR-UHFFFAOYSA-N
Compound name
methyl 3-(4-bromophenyl)bicyclo[1.1.0]butane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00151 162.1
[M+Na]+ 288.98345 174.3
[M-H]- 264.98695 172.4
[M+NH4]+ 284.02805 175.5
[M+K]+ 304.95739 167.3
[M+H-H2O]+ 248.99149 163.5
[M+HCOO]- 310.99243 179.0
[M+CH3COO]- 325.00808 203.2
[M+Na-2H]- 286.96890 168.6
[M]+ 265.99368 184.1
[M]- 265.99478 184.1
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.