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

84
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

No literature data available for this compound.

Patent stripe

patents stripe