CID 239078

Methyl 9-bromo-9h-fluorene-9-carboxylate

Structural Information

Molecular Formula
C15H11BrO2
SMILES
COC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)Br
InChI
InChI=1S/C15H11BrO2/c1-18-14(17)15(16)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3
InChIKey
LPFNZUQDSQYWTN-UHFFFAOYSA-N
Compound name
methyl 9-bromofluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.99423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 163.5
[M+Na]+ 324.98345 176.6
[M-H]- 300.98695 172.1
[M+NH4]+ 320.02805 188.1
[M+K]+ 340.95739 165.2
[M+H-H2O]+ 284.99149 164.3
[M+HCOO]- 346.99243 183.7
[M+CH3COO]- 361.00808 178.5
[M+Na-2H]- 322.96890 170.8
[M]+ 301.99368 184.8
[M]- 301.99478 184.8
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

patents stripe