CID 21328946

3-chloro-2-iodoaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

252.91553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92281 134.8
[M+Na]+ 275.90475 137.8
[M-H]- 251.90825 131.5
[M+NH4]+ 270.94935 151.9
[M+K]+ 291.87869 139.8
[M+H-H2O]+ 235.91279 126.9
[M+HCOO]- 297.91373 150.8
[M+CH3COO]- 311.92938 184.2
[M+Na-2H]- 273.89020 129.2
[M]+ 252.91498 132.0
[M]- 252.91608 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

literature stripe

Patent stripe

patents stripe