CID 25219

9,10-bis(chloromethyl)anthracene

Structural Information

Molecular Formula
C16H12Cl2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCl)CCl
InChI
InChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKey
UOSROERWQJTVNU-UHFFFAOYSA-N
Compound name
9,10-bis(chloromethyl)anthracene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

441
Patents

274.03162 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03890 156.8
[M+Na]+ 297.02084 176.8
[M+NH4]+ 292.06544 168.9
[M+K]+ 312.99478 164.6
[M-H]- 273.02434 162.7
[M+Na-2H]- 295.00629 167.0
[M]+ 274.03107 162.5
[M]- 274.03217 162.5
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