CID 4145562

9,10-dibromophenanthrene

Structural Information

Molecular Formula
C14H8Br2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2Br)Br
InChI
InChI=1S/C14H8Br2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey
WZVDACBKJRRYBN-UHFFFAOYSA-N
Compound name
9,10-dibromophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
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

literature stripe

Patent stripe

patents stripe