CID 23062

1,4-bis(chloromethyl)naphthalene

Structural Information

Molecular Formula
C12H10Cl2
SMILES
C1=CC=C2C(=CC=C(C2=C1)CCl)CCl
InChI
InChI=1S/C12H10Cl2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2
InChIKey
PMIHHEJEQAQZET-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

119
Patents

224.01596 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02324 143.8
[M+Na]+ 247.00518 154.5
[M-H]- 223.00868 147.7
[M+NH4]+ 242.04978 164.9
[M+K]+ 262.97912 147.8
[M+H-H2O]+ 207.01322 139.5
[M+HCOO]- 269.01416 157.6
[M+CH3COO]- 283.02981 157.2
[M+Na-2H]- 244.99063 150.9
[M]+ 224.01541 147.5
[M]- 224.01651 147.5
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