CID 6845

1-(chloromethyl)naphthalene

Structural Information

Molecular Formula
C11H9Cl
SMILES
C1=CC=C2C(=C1)C=CC=C2CCl
InChI
InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKey
XMWGTKZEDLCVIG-UHFFFAOYSA-N
Compound name
1-(chloromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

4597
Patents

176.03928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04656 132.8
[M+Na]+ 199.02850 142.7
[M-H]- 175.03200 137.4
[M+NH4]+ 194.07310 155.2
[M+K]+ 215.00244 137.6
[M+H-H2O]+ 159.03654 128.0
[M+HCOO]- 221.03748 152.1
[M+CH3COO]- 235.05313 147.2
[M+Na-2H]- 197.01395 142.2
[M]+ 176.03873 134.7
[M]- 176.03983 134.7
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