CID 103764677

4-chloro-n-ethyl-2-iodoaniline

Structural Information

Molecular Formula
C8H9ClIN
SMILES
CCNC1=C(C=C(C=C1)Cl)I
InChI
InChI=1S/C8H9ClIN/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKey
SGWVHDOVUHPNEK-UHFFFAOYSA-N
Compound name
4-chloro-N-ethyl-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9468 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.95408 143.0
[M+Na]+ 303.93602 145.1
[M-H]- 279.93952 139.8
[M+NH4]+ 298.98062 159.3
[M+K]+ 319.90996 147.0
[M+H-H2O]+ 263.94406 134.6
[M+HCOO]- 325.94500 159.0
[M+CH3COO]- 339.96065 190.6
[M+Na-2H]- 301.92147 137.4
[M]+ 280.94625 141.9
[M]- 280.94735 141.9
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.