CID 5485989

63589-36-6

Structural Information

Molecular Formula
C15H7ClN2O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)[N+](=O)[O-])C(=O)Cl)N
InChI
InChI=1S/C15H7ClN2O5/c16-15(21)8-5-9(17)10-11(12(8)18(22)23)14(20)7-4-2-1-3-6(7)13(10)19/h1-5H,17H2
InChIKey
WQZALXCFYNANEH-UHFFFAOYSA-N
Compound name
4-amino-1-nitro-9,10-dioxoanthracene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.00436 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.01164 166.9
[M+Na]+ 352.99358 176.3
[M-H]- 328.99708 172.2
[M+NH4]+ 348.03818 182.3
[M+K]+ 368.96752 167.5
[M+H-H2O]+ 313.00162 165.6
[M+HCOO]- 375.00256 184.2
[M+CH3COO]- 389.01821 206.0
[M+Na-2H]- 350.97903 172.6
[M]+ 330.00381 168.3
[M]- 330.00491 168.3
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.