CID 11309

9-bromophenanthrene

Structural Information

Molecular Formula
C14H9Br
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br
InChI
InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey
RSQXKVWKJVUZDG-UHFFFAOYSA-N
Compound name
9-bromophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1784
Patents

255.98875 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99603 147.9
[M+Na]+ 278.97797 161.4
[M-H]- 254.98147 156.5
[M+NH4]+ 274.02257 170.8
[M+K]+ 294.95191 149.1
[M+H-H2O]+ 238.98601 148.2
[M+HCOO]- 300.98695 169.3
[M+CH3COO]- 315.00260 163.6
[M+Na-2H]- 276.96342 159.6
[M]+ 255.98820 167.6
[M]- 255.98930 167.6
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.