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
4
Annotation Hits

0
References

19
Patents

256.0291 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 151.0
[M+Na]+ 279.01832 168.8
[M+NH4]+ 274.06292 161.6
[M+K]+ 294.99226 159.4
[M-H]- 255.02182 155.4
[M+Na-2H]- 277.00377 158.5
[M]+ 256.02855 155.4
[M]- 256.02965 155.4
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

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