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
3
Annotation Hits

22
References

6050
Patents

218.9545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96178 128.9
[M+Na]+ 241.94372 134.2
[M+NH4]+ 236.98832 134.2
[M+K]+ 257.91766 131.0
[M-H]- 217.94722 126.0
[M+Na-2H]- 239.92917 124.3
[M]+ 218.95395 127.8
[M]- 218.95505 127.8
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