CID 15562322

4-(chloromethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H11Cl
SMILES
C1CC2=C(C1)C(=CC=C2)CCl
InChI
InChI=1S/C10H11Cl/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5H,2,4,6-7H2
InChIKey
BZLIAEVSPAPOPT-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 134.2
[M+Na]+ 189.04415 143.4
[M-H]- 165.04765 138.4
[M+NH4]+ 184.08875 158.6
[M+K]+ 205.01809 138.7
[M+H-H2O]+ 149.05219 129.7
[M+HCOO]- 211.05313 153.0
[M+CH3COO]- 225.06878 148.4
[M+Na-2H]- 187.02960 140.2
[M]+ 166.05438 134.8
[M]- 166.05548 134.8
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