CID 58475320

4-chloro-2-iodo-5-methylaniline

Structural Information

Molecular Formula
C7H7ClIN
SMILES
CC1=CC(=C(C=C1Cl)I)N
InChI
InChI=1S/C7H7ClIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKey
RZWBXGNBGRTHDK-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

266.93118 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.93846 137.6
[M+Na]+ 289.92040 144.3
[M+NH4]+ 284.96500 143.0
[M+K]+ 305.89434 140.3
[M-H]- 265.92390 134.8
[M+Na-2H]- 287.90585 132.6
[M]+ 266.93063 137.1
[M]- 266.93173 137.1
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