CID 381097

Nsc667255

Structural Information

Molecular Formula
C15H9NO4
SMILES
CC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO4/c1-8-12(16(19)20)7-6-11-13(8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChIKey
CYXGLGFQKSCUSV-UHFFFAOYSA-N
Compound name
1-methyl-2-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.05316 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 154.1
[M+Na]+ 290.04238 163.5
[M-H]- 266.04588 160.3
[M+NH4]+ 285.08698 172.1
[M+K]+ 306.01632 155.6
[M+H-H2O]+ 250.05042 151.8
[M+HCOO]- 312.05136 176.4
[M+CH3COO]- 326.06701 194.6
[M+Na-2H]- 288.02783 162.3
[M]+ 267.05261 154.4
[M]- 267.05371 154.4
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

patents stripe