CID 10893

4-iodoaniline

Structural Information

Molecular Formula
C6H6IN
SMILES
C1=CC(=CC=C1N)I
InChI
InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey
VLVCDUSVTXIWGW-UHFFFAOYSA-N
Compound name
4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

6400
Patents

218.9545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.961776 130.9
[M+Na]+ 241.943718 132.3
[M-H]- 217.947224 127.5
[M+NH4]+ 236.988323 148.2
[M+K]+ 257.917658 136.2
[M+H-H2O]+ 201.951760 122.1
[M+HCOO]- 263.952701 151.3
[M+CH3COO]- 277.968351 179.5
[M+Na-2H]- 239.929166 126.3
[M]+ 218.95395142 126.0
[M]- 218.95504858 126.0
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