CID 2487832

5-chloro-2-(4-methoxyphenoxy)aniline

Structural Information

Molecular Formula
C13H12ClNO2
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C13H12ClNO2/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(14)8-12(13)15/h2-8H,15H2,1H3
InChIKey
MOKCOIMRDYVYNH-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methoxyphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.05565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 152.6
[M+Na]+ 272.04487 162.4
[M-H]- 248.04837 159.5
[M+NH4]+ 267.08947 170.6
[M+K]+ 288.01881 157.6
[M+H-H2O]+ 232.05291 146.2
[M+HCOO]- 294.05385 173.6
[M+CH3COO]- 308.06950 194.5
[M+Na-2H]- 270.03032 157.9
[M]+ 249.05510 155.9
[M]- 249.05620 155.9
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

patents stripe