CID 39871971

2-chloro-5-iodoaniline

Structural Information

Molecular Formula
C6H5ClIN
SMILES
C1=CC(=C(C=C1I)N)Cl
InChI
InChI=1S/C6H5ClIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey
PSXCVXYHPJLMGU-UHFFFAOYSA-N
Compound name
2-chloro-5-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

252.91553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.922806 134.8
[M+Na]+ 275.904748 137.8
[M-H]- 251.908254 131.5
[M+NH4]+ 270.949353 151.9
[M+K]+ 291.878688 139.8
[M+H-H2O]+ 235.912790 126.9
[M+HCOO]- 297.913731 150.8
[M+CH3COO]- 311.929381 184.2
[M+Na-2H]- 273.890196 129.2
[M]+ 252.91498142 132.0
[M]- 252.91607858 132.0
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