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

122
Patents

224.01596 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.023236 143.8
[M+Na]+ 247.005178 154.5
[M-H]- 223.008684 147.7
[M+NH4]+ 242.049783 164.9
[M+K]+ 262.979118 147.8
[M+H-H2O]+ 207.013220 139.5
[M+HCOO]- 269.014161 157.6
[M+CH3COO]- 283.029811 157.2
[M+Na-2H]- 244.990626 150.9
[M]+ 224.01541142 147.5
[M]- 224.01650858 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