CID 138443

1-chloromethyl-4-methylnaphthalene

Structural Information

Molecular Formula
C12H11Cl
SMILES
CC1=CC=C(C2=CC=CC=C12)CCl
InChI
InChI=1S/C12H11Cl/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,8H2,1H3
InChIKey
QHXSBKTZBDHBKF-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

190.05493 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06221 137.0
[M+Na]+ 213.04415 154.1
[M+NH4]+ 208.08875 148.5
[M+K]+ 229.01809 144.2
[M-H]- 189.04765 141.8
[M+Na-2H]- 211.02960 146.5
[M]+ 190.05438 141.4
[M]- 190.05548 141.4
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

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