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 138.7
[M+Na]+ 289.92040 142.1
[M-H]- 265.92390 135.6
[M+NH4]+ 284.96500 155.6
[M+K]+ 305.89434 144.0
[M+H-H2O]+ 249.92844 130.9
[M+HCOO]- 311.92938 154.4
[M+CH3COO]- 325.94503 188.1
[M+Na-2H]- 287.90585 132.0
[M]+ 266.93063 136.6
[M]- 266.93173 136.6
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