CID 4907056

4-iodo-3,5-dimethylaniline

Structural Information

Molecular Formula
C8H10IN
SMILES
CC1=CC(=CC(=C1I)C)N
InChI
InChI=1S/C8H10IN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
GVLJJTPNZDAXIJ-UHFFFAOYSA-N
Compound name
4-iodo-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
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

No literature data available for this compound.

Patent stripe

patents stripe