CID 74062

9-bromoanthracene

Structural Information

Molecular Formula
C14H9Br
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
InChI
InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey
ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
Compound name
9-bromoanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3016
Patents

255.98875 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99603 142.7
[M+Na]+ 278.97797 151.0
[M+NH4]+ 274.02257 150.6
[M+K]+ 294.95191 147.6
[M-H]- 254.98147 146.6
[M+Na-2H]- 276.96342 150.0
[M]+ 255.98820 144.3
[M]- 255.98930 144.3
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