CID 61384810

1,4-dichloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8Cl2
SMILES
C1CC2=C(C1Cl)C=CC=C2Cl
InChI
InChI=1S/C9H8Cl2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9H,4-5H2
InChIKey
GTUOVOUGJSMRBK-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0003 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00758 136.7
[M+Na]+ 208.98952 147.7
[M-H]- 184.99302 140.7
[M+NH4]+ 204.03412 161.0
[M+K]+ 224.96346 141.8
[M+H-H2O]+ 168.99756 133.2
[M+HCOO]- 230.99850 150.6
[M+CH3COO]- 245.01415 150.8
[M+Na-2H]- 206.97497 141.7
[M]+ 185.99975 138.3
[M]- 186.00085 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.