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

3
Patents

282.9261 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.933376 143.0
[M+Na]+ 305.915318 146.4
[M-H]- 281.918824 140.0
[M+NH4]+ 300.959923 159.3
[M+K]+ 321.889258 148.7
[M+H-H2O]+ 265.923360 135.0
[M+HCOO]- 327.924301 159.0
[M+CH3COO]- 341.939951 190.1
[M+Na-2H]- 303.900766 136.2
[M]+ 282.92555142 142.3
[M]- 282.92664858 142.3
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