CID 410076

5-chloro-2-ethoxyaniline

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CCOC1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C8H10ClNO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3
InChIKey
UZEGGYTUIIXOIX-UHFFFAOYSA-N
Compound name
5-chloro-2-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

224
Patents

171.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.052366 132.9
[M+Na]+ 194.034308 142.5
[M-H]- 170.037814 136.5
[M+NH4]+ 189.078913 154.2
[M+K]+ 210.008248 138.9
[M+H-H2O]+ 154.042350 128.4
[M+HCOO]- 216.043291 153.8
[M+CH3COO]- 230.058941 180.6
[M+Na-2H]- 192.019756 138.9
[M]+ 171.04454142 134.8
[M]- 171.04563858 134.8
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