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]+ 220.968606 144.5
[M+Na]+ 242.950548 156.0
[M-H]- 218.954054 147.3
[M+NH4]+ 237.995153 167.2
[M+K]+ 258.924488 149.3
[M+H-H2O]+ 202.958590 141.5
[M+HCOO]- 264.959531 152.7
[M+CH3COO]- 278.975181 157.4
[M+Na-2H]- 240.935996 147.4
[M]+ 219.96078142 146.3
[M]- 219.96187858 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.