CID 61384808

1,4,6-trichloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H7Cl3
SMILES
C1CC2=C(C1Cl)C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2
InChIKey
QZOQWLZEVHEWLA-UHFFFAOYSA-N
Compound name
1,4,6-trichloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.96133 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96861 144.5
[M+Na]+ 242.95055 156.0
[M-H]- 218.95405 147.3
[M+NH4]+ 237.99515 167.2
[M+K]+ 258.92449 149.3
[M+H-H2O]+ 202.95859 141.5
[M+HCOO]- 264.95953 152.7
[M+CH3COO]- 278.97518 157.4
[M+Na-2H]- 240.93600 147.4
[M]+ 219.96078 146.3
[M]- 219.96188 146.3
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.