CID 260102

Nsc90982

Structural Information

Molecular Formula
C20H9Cl2N3O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N4C5=CC(=C(C=C5N=N4)Cl)Cl
InChI
InChI=1S/C20H9Cl2N3O2/c21-13-8-15-17(9-14(13)22)25(24-23-15)16-7-3-6-12-18(16)20(27)11-5-2-1-4-10(11)19(12)26/h1-9H
InChIKey
IIBIQYDUITVXDA-UHFFFAOYSA-N
Compound name
1-(5,6-dichlorobenzotriazol-1-yl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.00717 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.01445 190.2
[M+Na]+ 415.99639 205.2
[M-H]- 391.99989 196.0
[M+NH4]+ 411.04099 203.8
[M+K]+ 431.97033 196.0
[M+H-H2O]+ 376.00443 180.0
[M+HCOO]- 438.00537 198.7
[M+CH3COO]- 452.02102 200.8
[M+Na-2H]- 413.98184 193.6
[M]+ 393.00662 197.1
[M]- 393.00772 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.