CID 79386

2,6-diiodo-4-nitroaniline

Structural Information

Molecular Formula
C6H4I2N2O2
SMILES
C1=C(C=C(C(=C1I)N)I)[N+](=O)[O-]
InChI
InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey
YPVYMWQYENWFAT-UHFFFAOYSA-N
Compound name
2,6-diiodo-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

117
Patents

389.8362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.84348 157.3
[M+Na]+ 412.82542 151.2
[M-H]- 388.82892 149.4
[M+NH4]+ 407.87002 165.6
[M+K]+ 428.79936 157.6
[M+H-H2O]+ 372.83346 149.2
[M+HCOO]- 434.83440 171.0
[M+CH3COO]- 448.85005 200.5
[M+Na-2H]- 410.81087 145.0
[M]+ 389.83565 150.1
[M]- 389.83675 150.1
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