CID 344311

2-(chloromethyl)anthraquinone

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CCl
InChI
InChI=1S/C15H9ClO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
InChIKey
NVUYDKYMEMGYFP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

256.0291 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 151.6
[M+Na]+ 279.01832 163.2
[M-H]- 255.02182 157.5
[M+NH4]+ 274.06292 172.1
[M+K]+ 294.99226 156.9
[M+H-H2O]+ 239.02636 145.9
[M+HCOO]- 301.02730 168.6
[M+CH3COO]- 315.04295 165.2
[M+Na-2H]- 277.00377 158.7
[M]+ 256.02855 154.9
[M]- 256.02965 154.9
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