CID 15025286

Anthraquinone-2-carbonyl chloride

Structural Information

Molecular Formula
C15H7ClO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)Cl
InChI
InChI=1S/C15H7ClO3/c16-15(19)8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7H
InChIKey
DGJNWQJOASAMHY-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

270.00836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01564 152.8
[M+Na]+ 292.99758 164.3
[M-H]- 269.00108 158.9
[M+NH4]+ 288.04218 172.4
[M+K]+ 308.97152 158.5
[M+H-H2O]+ 253.00562 147.3
[M+HCOO]- 315.00656 169.2
[M+CH3COO]- 329.02221 198.0
[M+Na-2H]- 290.98303 159.0
[M]+ 270.00781 156.4
[M]- 270.00891 156.4
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