CID 12770

2,6-dichloro-4-iodoaniline

Structural Information

Molecular Formula
C6H4Cl2IN
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)I
InChI
InChI=1S/C6H4Cl2IN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChIKey
IVCYDUGLECLFHS-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

286.87656 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.88384 138.3
[M+Na]+ 309.86578 142.6
[M-H]- 285.86928 134.8
[M+NH4]+ 304.91038 154.8
[M+K]+ 325.83972 143.2
[M+H-H2O]+ 269.87382 131.5
[M+HCOO]- 331.87476 149.7
[M+CH3COO]- 345.89041 189.8
[M+Na-2H]- 307.85123 131.8
[M]+ 286.87601 137.0
[M]- 286.87711 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe