CID 15128633

N-ethyl-2-iodoaniline hydrochloride

Structural Information

Molecular Formula
C8H10IN
SMILES
CCNC1=CC=CC=C1I
InChI
InChI=1S/C8H10IN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKey
WQNXDOPZKIHJEX-UHFFFAOYSA-N
Compound name
N-ethyl-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

246.9858 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 139.1
[M+Na]+ 269.975018 139.6
[M-H]- 245.978524 135.8
[M+NH4]+ 265.019623 155.6
[M+K]+ 285.948958 143.4
[M+H-H2O]+ 229.983060 129.7
[M+HCOO]- 291.984001 159.3
[M+CH3COO]- 305.999651 185.9
[M+Na-2H]- 267.960466 134.4
[M]+ 246.98525142 135.7
[M]- 246.98634858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe