CID 15205140

2-chloro-3-(chloromethyl)naphthalene

Structural Information

Molecular Formula
C11H8Cl2
SMILES
C1=CC=C2C=C(C(=CC2=C1)CCl)Cl
InChI
InChI=1S/C11H8Cl2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6H,7H2
InChIKey
QWAKCYVLWFZTGH-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.0003 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00758 139.0
[M+Na]+ 232.98952 150.2
[M-H]- 208.99302 143.1
[M+NH4]+ 228.03412 160.6
[M+K]+ 248.96346 143.8
[M+H-H2O]+ 192.99756 135.0
[M+HCOO]- 254.99850 153.1
[M+CH3COO]- 269.01415 152.9
[M+Na-2H]- 230.97497 146.7
[M]+ 209.99975 142.4
[M]- 210.00085 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe