CID 15422784

4-chloro-2-iodo-6-methylaniline

Structural Information

Molecular Formula
C7H7ClIN
SMILES
CC1=CC(=CC(=C1N)I)Cl
InChI
InChI=1S/C7H7ClIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKey
APOYOBUFTZPTBO-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe