CID 13827985

5358-09-8

Structural Information

Molecular Formula
C8H2Cl4N2O
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N=C2N
InChI
InChI=1S/C8H2Cl4N2O/c9-3-1-2(8(15)14-7(1)13)4(10)6(12)5(3)11/h(H2,13,14,15)
InChIKey
LOZJNNNVLREXGU-UHFFFAOYSA-N
Compound name
3-amino-4,5,6,7-tetrachloroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

281.89212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.899396 156.8
[M+Na]+ 304.881338 170.5
[M-H]- 280.884844 157.3
[M+NH4]+ 299.925943 175.2
[M+K]+ 320.855278 163.7
[M+H-H2O]+ 264.889380 153.7
[M+HCOO]- 326.890321 160.3
[M+CH3COO]- 340.905971 168.2
[M+Na-2H]- 302.866786 156.9
[M]+ 281.89157142 159.2
[M]- 281.89266858 159.2
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

patents stripe