CID 954004

2-ethyl-4-iodoaniline

Structural Information

Molecular Formula
C8H10IN
SMILES
CCC1=C(C=CC(=C1)I)N
InChI
InChI=1S/C8H10IN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
InChIKey
PLKZGDYLTZBAEH-UHFFFAOYSA-N
Compound name
2-ethyl-4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

246.9858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 139.7
[M+Na]+ 269.97502 141.2
[M-H]- 245.97852 136.4
[M+NH4]+ 265.01962 156.3
[M+K]+ 285.94896 144.7
[M+H-H2O]+ 229.98306 130.7
[M+HCOO]- 291.98400 159.4
[M+CH3COO]- 305.99965 186.3
[M+Na-2H]- 267.96047 133.4
[M]+ 246.98525 135.8
[M]- 246.98635 135.8
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