CID 3085437

Einecs 274-916-6

Structural Information

Molecular Formula
C8H3Cl4N3O
SMILES
C12=C(NC(=C1C(=C(C(=C2Cl)Cl)Cl)Cl)N=O)N
InChI
InChI=1S/C8H3Cl4N3O/c9-3-1-2(4(10)6(12)5(3)11)8(15-16)14-7(1)13/h14H,13H2
InChIKey
WXZBOVPHFPDVFK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-3-nitroso-2H-isoindol-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

296.903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.91028 160.9
[M+Na]+ 319.89222 174.7
[M-H]- 295.89572 161.7
[M+NH4]+ 314.93682 178.6
[M+K]+ 335.86616 167.8
[M+H-H2O]+ 279.90026 157.5
[M+HCOO]- 341.90120 166.7
[M+CH3COO]- 355.91685 172.2
[M+Na-2H]- 317.87767 162.1
[M]+ 296.90245 164.3
[M]- 296.90355 164.3
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

patents stripe