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

52
Patents

252.91553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92281 132.9
[M+Na]+ 275.90475 139.4
[M+NH4]+ 270.94935 138.5
[M+K]+ 291.87869 135.6
[M-H]- 251.90825 130.1
[M+Na-2H]- 273.89020 128.4
[M]+ 252.91498 132.3
[M]- 252.91608 132.3
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