CID 11010799

2-iodo-4-methoxy-n-methylaniline

Structural Information

Molecular Formula
C8H10INO
SMILES
CNC1=C(C=C(C=C1)OC)I
InChI
InChI=1S/C8H10INO/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,1-2H3
InChIKey
MMQDZDZZNKUFRB-UHFFFAOYSA-N
Compound name
2-iodo-4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.987976 142.7
[M+Na]+ 285.969918 144.0
[M-H]- 261.973424 139.8
[M+NH4]+ 281.014523 158.8
[M+K]+ 301.943858 148.3
[M+H-H2O]+ 245.977960 133.3
[M+HCOO]- 307.978901 163.1
[M+CH3COO]- 321.994551 188.8
[M+Na-2H]- 283.955366 137.2
[M]+ 262.98015142 141.0
[M]- 262.98124858 141.0
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.