CID 65816634

2-ethoxy-5-iodoaniline

Structural Information

Molecular Formula
C8H10INO
SMILES
CCOC1=C(C=C(C=C1)I)N
InChI
InChI=1S/C8H10INO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3
InChIKey
JYBGWCLQQSTJCS-UHFFFAOYSA-N
Compound name
2-ethoxy-5-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9807 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98798 144.4
[M+Na]+ 285.96992 145.7
[M-H]- 261.97342 141.0
[M+NH4]+ 281.01452 160.2
[M+K]+ 301.94386 149.7
[M+H-H2O]+ 245.97796 135.0
[M+HCOO]- 307.97890 164.2
[M+CH3COO]- 321.99455 188.2
[M+Na-2H]- 283.95537 137.8
[M]+ 262.98015 141.7
[M]- 262.98125 141.7
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