CID 104092

1,1,3,4,5,6,7-heptachloro-1h-isoindole

Structural Information

Molecular Formula
C8Cl7N
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(N=C2Cl)(Cl)Cl
InChI
InChI=1S/C8Cl7N/c9-3-1-2(4(10)6(12)5(3)11)8(14,15)16-7(1)13
InChIKey
FXRBYDKQFPIWTH-UHFFFAOYSA-N
Compound name
1,1,3,4,5,6,7-heptachloroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.78503 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.79231 176.3
[M+Na]+ 377.77425 185.7
[M-H]- 353.77775 169.8
[M+NH4]+ 372.81885 189.3
[M+K]+ 393.74819 182.0
[M+H-H2O]+ 337.78229 172.8
[M+HCOO]- 399.78323 162.6
[M+CH3COO]- 413.79888 181.2
[M+Na-2H]- 375.75970 171.4
[M]+ 354.78448 170.8
[M]- 354.78558 170.8
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.