CID 96767

3-bromophenanthrene

Structural Information

Molecular Formula
C14H9Br
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKey
BNGNNFQSUWVWCW-UHFFFAOYSA-N
Compound name
3-bromophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
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

literature stripe

Patent stripe

patents stripe