CID 8509

1-chloro-2-methylanthraquinone

Structural Information

Molecular Formula
C15H9ClO2
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChIKey
NMFBXBSNLQNQKL-UHFFFAOYSA-N
Compound name
1-chloro-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

78
Patents

256.0291 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.036376 151.3
[M+Na]+ 279.018318 163.8
[M-H]- 255.021824 157.6
[M+NH4]+ 274.062923 172.1
[M+K]+ 294.992258 157.6
[M+H-H2O]+ 239.026360 145.9
[M+HCOO]- 301.027301 168.3
[M+CH3COO]- 315.042951 165.2
[M+Na-2H]- 277.003766 157.7
[M]+ 256.02855142 155.0
[M]- 256.02964858 155.0
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