CID 86767766

4-chloro-2-iodo-5-methoxyaniline

Structural Information

Molecular Formula
C7H7ClINO
SMILES
COC1=C(C=C(C(=C1)N)I)Cl
InChI
InChI=1S/C7H7ClINO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,10H2,1H3
InChIKey
NXNZZMXKYSZKKX-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.9261 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.93338 141.6
[M+Na]+ 305.91532 147.7
[M+NH4]+ 300.95992 146.4
[M+K]+ 321.88926 144.3
[M-H]- 281.91882 138.3
[M+Na-2H]- 303.90077 136.0
[M]+ 282.92555 140.7
[M]- 282.92665 140.7
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