CID 12346097

2,7-dibromoanthracene

Structural Information

Molecular Formula
C14H8Br2
SMILES
C1=CC(=CC2=CC3=C(C=CC(=C3)Br)C=C21)Br
InChI
InChI=1S/C14H8Br2/c15-13-3-1-9-5-10-2-4-14(16)8-12(10)6-11(9)7-13/h1-8H
InChIKey
DWRLOOFPLSQJEC-UHFFFAOYSA-N
Compound name
2,7-dibromoanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.8993 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.90658 150.4
[M+Na]+ 356.88852 162.7
[M-H]- 332.89202 159.0
[M+NH4]+ 351.93312 170.3
[M+K]+ 372.86246 147.5
[M+H-H2O]+ 316.89656 159.1
[M+HCOO]- 378.89750 166.5
[M+CH3COO]- 392.91315 164.9
[M+Na-2H]- 354.87397 160.2
[M]+ 333.89875 185.5
[M]- 333.89985 185.5
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