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]+ 267.938456 138.7
[M+Na]+ 289.920398 142.1
[M-H]- 265.923904 135.6
[M+NH4]+ 284.965003 155.6
[M+K]+ 305.894338 144.0
[M+H-H2O]+ 249.928440 130.9
[M+HCOO]- 311.929381 154.4
[M+CH3COO]- 325.945031 188.1
[M+Na-2H]- 287.905846 132.0
[M]+ 266.93063142 136.6
[M]- 266.93172858 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