CID 255030

5-iodobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H7IN2
SMILES
C1=C(C=C(C=C1N)I)N
InChI
InChI=1S/C6H7IN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
InChIKey
JYDAWJKJURFTTH-UHFFFAOYSA-N
Compound name
5-iodobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

No literature data available for this compound.

Patent stripe

patents stripe