CID 66504

82-27-9

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N)Cl
InChI
InChI=1S/C14H8ClNO2/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
InChIKey
PLGPRGMWHYWEFT-UHFFFAOYSA-N
Compound name
2-amino-1-chloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

257.02435 Da
Monoisotopic Mass

2.8
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