CID 131509770

3-chloro-2-iodo-4-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.0
[M+Na]+ 305.91532 146.4
[M-H]- 281.91882 140.0
[M+NH4]+ 300.95992 159.3
[M+K]+ 321.88926 148.7
[M+H-H2O]+ 265.92336 135.0
[M+HCOO]- 327.92430 159.0
[M+CH3COO]- 341.93995 190.1
[M+Na-2H]- 303.90077 136.2
[M]+ 282.92555 142.3
[M]- 282.92665 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

No patent data available for this compound.