CID 6681

1-amino-2,4-dibromoanthraquinone

Structural Information

Molecular Formula
C14H7Br2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N
InChI
InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChIKey
ZINRVIQBCHAZMM-UHFFFAOYSA-N
Compound name
1-amino-2,4-dibromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

384
Patents

378.88434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.89162 158.6
[M+Na]+ 401.87356 170.1
[M-H]- 377.87706 166.5
[M+NH4]+ 396.91816 176.4
[M+K]+ 417.84750 154.3
[M+H-H2O]+ 361.88160 165.7
[M+HCOO]- 423.88254 172.7
[M+CH3COO]- 437.89819 171.7
[M+Na-2H]- 399.85901 164.5
[M]+ 378.88379 191.8
[M]- 378.88489 191.8
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