CID 8327

1-amino-5-chloroanthraquinone

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)Cl
InChI
InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2
InChIKey
QIHMGEKACAOTPE-UHFFFAOYSA-N
Compound name
1-amino-5-chloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

124
Patents

257.02435 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03163 152.1
[M+Na]+ 280.01357 164.2
[M-H]- 256.01707 157.9
[M+NH4]+ 275.05817 172.2
[M+K]+ 295.98751 157.8
[M+H-H2O]+ 240.02161 146.7
[M+HCOO]- 302.02255 169.8
[M+CH3COO]- 316.03820 165.6
[M+Na-2H]- 277.99902 158.4
[M]+ 257.02380 153.9
[M]- 257.02490 153.9
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