CID 278942

4-iodo-2,6-dimethylaniline

Structural Information

Molecular Formula
C8H10IN
SMILES
CC1=CC(=CC(=C1N)C)I
InChI
InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey
BJJSUOOEBCCLNY-UHFFFAOYSA-N
Compound name
4-iodo-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

155
Patents

246.9858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 138.6
[M+Na]+ 269.975018 140.9
[M-H]- 245.978524 135.7
[M+NH4]+ 265.019623 155.5
[M+K]+ 285.948958 144.5
[M+H-H2O]+ 229.983060 129.8
[M+HCOO]- 291.984001 158.3
[M+CH3COO]- 305.999651 187.4
[M+Na-2H]- 267.960466 131.7
[M]+ 246.98525142 135.0
[M]- 246.98634858 135.0
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