CID 7003

1-chloronaphthalene

Structural Information

Molecular Formula
C10H7Cl
SMILES
C1=CC=C2C(=C1)C=CC=C2Cl
InChI
InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
JTPNRXUCIXHOKM-UHFFFAOYSA-N
Compound name
1-chloronaphthalene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

44
References

29083
Patents

162.02362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.030896 128.0
[M+Na]+ 185.012838 138.3
[M-H]- 161.016344 132.8
[M+NH4]+ 180.057443 151.0
[M+K]+ 200.986778 133.5
[M+H-H2O]+ 145.020880 123.4
[M+HCOO]- 207.021821 147.7
[M+CH3COO]- 221.037471 142.8
[M+Na-2H]- 182.998286 138.0
[M]+ 162.02307142 129.5
[M]- 162.02416858 129.5
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