CID 3017341

5-(chloromethyl)-1,2-dihydroacenaphthylene

Structural Information

Molecular Formula
C13H11Cl
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)CCl
InChI
InChI=1S/C13H11Cl/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-7H,4-5,8H2
InChIKey
NEEMSAQTCUNZJD-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.05493 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.062206 143.0
[M+Na]+ 225.044148 153.3
[M-H]- 201.047654 147.8
[M+NH4]+ 220.088753 167.6
[M+K]+ 241.018088 147.2
[M+H-H2O]+ 185.052190 138.2
[M+HCOO]- 247.053131 160.8
[M+CH3COO]- 261.068781 157.0
[M+Na-2H]- 223.029596 149.9
[M]+ 202.05438142 145.8
[M]- 202.05547858 145.8
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