CID 15588290

9-bromoacridine

Structural Information

Molecular Formula
C13H8BrN
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Br
InChI
InChI=1S/C13H8BrN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
NNTFCRCMYKVMPU-UHFFFAOYSA-N
Compound name
9-bromoacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

256.984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99128 146.7
[M+Na]+ 279.97322 160.6
[M-H]- 255.97672 154.0
[M+NH4]+ 275.01782 168.3
[M+K]+ 295.94716 148.3
[M+H-H2O]+ 239.98126 146.4
[M+HCOO]- 301.98220 167.3
[M+CH3COO]- 315.99785 162.2
[M+Na-2H]- 277.95867 159.1
[M]+ 256.98345 166.7
[M]- 256.98455 166.7
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