CID 3013933

2-iodo-n,n-dimethylaniline

Structural Information

Molecular Formula
C8H10IN
SMILES
CN(C)C1=CC=CC=C1I
InChI
InChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
DDQWSLFKVLTRDN-UHFFFAOYSA-N
Compound name
2-iodo-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

246.9858 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 137.4
[M+Na]+ 269.97502 138.1
[M-H]- 245.97852 135.6
[M+NH4]+ 265.01962 154.6
[M+K]+ 285.94896 143.3
[M+H-H2O]+ 229.98306 128.0
[M+HCOO]- 291.98400 158.2
[M+CH3COO]- 305.99965 189.2
[M+Na-2H]- 267.96047 132.3
[M]+ 246.98525 135.3
[M]- 246.98635 135.3
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

No patent data available for this compound.