CID 222629

2-iodo-4-nitroaniline

Structural Information

Molecular Formula
C6H5IN2O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])I)N
InChI
InChI=1S/C6H5IN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey
LOLSEMNGXKAZBZ-UHFFFAOYSA-N
Compound name
2-iodo-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

411
Patents

263.93958 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.946856 145.5
[M+Na]+ 286.928798 146.5
[M-H]- 262.932304 142.4
[M+NH4]+ 281.973403 160.3
[M+K]+ 302.902738 146.8
[M+H-H2O]+ 246.936840 140.4
[M+HCOO]- 308.937781 166.7
[M+CH3COO]- 322.953431 181.6
[M+Na-2H]- 284.914246 140.4
[M]+ 263.93903142 139.7
[M]- 263.94012858 139.7
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