CID 22757690

1-chloro-2-iodo-3-nitrobenzene

Structural Information

Molecular Formula
C6H3ClINO2
SMILES
C1=CC(=C(C(=C1)Cl)I)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClINO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
AIRXOASLLZFVNX-UHFFFAOYSA-N
Compound name
1-chloro-2-iodo-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

282.8897 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.89698 139.9
[M+Na]+ 305.87892 147.5
[M+NH4]+ 300.92352 145.0
[M+K]+ 321.85286 146.1
[M-H]- 281.88242 137.5
[M+Na-2H]- 303.86437 134.9
[M]+ 282.88915 139.6
[M]- 282.89025 139.6
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

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