CID 14571184

2-iodo-1,3-dinitrobenzene

Structural Information

Molecular Formula
C6H3IN2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])I)[N+](=O)[O-]
InChI
InChI=1S/C6H3IN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H
InChIKey
PYNOEYZGLYTFIP-UHFFFAOYSA-N
Compound name
2-iodo-1,3-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

293.91376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.92104 155.8
[M+Na]+ 316.90298 156.3
[M-H]- 292.90648 153.2
[M+NH4]+ 311.94758 168.5
[M+K]+ 332.87692 153.0
[M+H-H2O]+ 276.91102 154.7
[M+HCOO]- 338.91196 176.8
[M+CH3COO]- 352.92761 180.6
[M+Na-2H]- 314.88843 152.2
[M]+ 293.91321 150.3
[M]- 293.91431 150.3
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