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]+ 303.001506 163.5
[M+Na]+ 324.983448 176.6
[M-H]- 300.986954 172.1
[M+NH4]+ 320.028053 188.1
[M+K]+ 340.957388 165.2
[M+H-H2O]+ 284.991490 164.3
[M+HCOO]- 346.992431 183.7
[M+CH3COO]- 361.008081 178.5
[M+Na-2H]- 322.968896 170.8
[M]+ 301.99368142 184.8
[M]- 301.99477858 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