CID 23343706

4-chloro-2-iodo-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7ClIN
SMILES
CNC1=C(C=C(C=C1)Cl)I
InChI
InChI=1S/C7H7ClIN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
WJLYTJZISDORDB-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.93118 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.938456 138.0
[M+Na]+ 289.920398 140.6
[M-H]- 265.923904 135.1
[M+NH4]+ 284.965003 154.9
[M+K]+ 305.894338 142.7
[M+H-H2O]+ 249.928440 129.9
[M+HCOO]- 311.929381 154.4
[M+CH3COO]- 325.945031 187.7
[M+Na-2H]- 287.905846 133.0
[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