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

104
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

literature stripe

Patent stripe

patents stripe