CID 32385

9-(chloromethyl)anthracene

Structural Information

Molecular Formula
C15H11Cl
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCl
InChI
InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey
PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Compound name
9-(chloromethyl)anthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

1038
Patents

226.05493 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06221 145.5
[M+Na]+ 249.04415 157.0
[M-H]- 225.04765 151.3
[M+NH4]+ 244.08875 167.0
[M+K]+ 265.01809 150.1
[M+H-H2O]+ 209.05219 139.6
[M+HCOO]- 271.05313 164.6
[M+CH3COO]- 285.06878 159.6
[M+Na-2H]- 247.02960 155.9
[M]+ 226.05438 149.4
[M]- 226.05548 149.4
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