CID 188717

1-chloro-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H11Cl
SMILES
C1CC(C2=CC=CC=C2C1)Cl
InChI
InChI=1S/C10H11Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKey
URZAPYFJGQXLKY-UHFFFAOYSA-N
Compound name
1-chloro-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

126
Patents

166.05493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06221 131.6
[M+Na]+ 189.04415 139.8
[M-H]- 165.04765 135.7
[M+NH4]+ 184.08875 154.2
[M+K]+ 205.01809 135.4
[M+H-H2O]+ 149.05219 126.9
[M+HCOO]- 211.05313 148.3
[M+CH3COO]- 225.06878 145.3
[M+Na-2H]- 187.02960 139.4
[M]+ 166.05438 130.2
[M]- 166.05548 130.2
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