CID 14040290

2-iodo-4,6-dimethylaniline

Structural Information

Molecular Formula
C8H10IN
SMILES
CC1=CC(=C(C(=C1)I)N)C
InChI
InChI=1S/C8H10IN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey
ODPOIEACUVQCBZ-UHFFFAOYSA-N
Compound name
2-iodo-4,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

246.9858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 138.6
[M+Na]+ 269.97502 140.9
[M-H]- 245.97852 135.7
[M+NH4]+ 265.01962 155.5
[M+K]+ 285.94896 144.5
[M+H-H2O]+ 229.98306 129.8
[M+HCOO]- 291.98400 158.3
[M+CH3COO]- 305.99965 187.4
[M+Na-2H]- 267.96047 131.7
[M]+ 246.98525 135.0
[M]- 246.98635 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