CID 18510485

3-iodobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H7IN2
SMILES
C1=CC(=C(C(=C1)I)N)N
InChI
InChI=1S/C6H7IN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
InChIKey
ZPGYMGXNLJHVHS-UHFFFAOYSA-N
Compound name
3-iodobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

233.9654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97268 138.7
[M+Na]+ 256.95462 140.1
[M-H]- 232.95812 135.2
[M+NH4]+ 251.99922 155.1
[M+K]+ 272.92856 143.6
[M+H-H2O]+ 216.96266 129.5
[M+HCOO]- 278.96360 159.2
[M+CH3COO]- 292.97925 184.6
[M+Na-2H]- 254.94007 132.2
[M]+ 233.96485 132.3
[M]- 233.96595 132.3
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