CID 17605533

3-chloro-4-(3-methoxyphenoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.05565 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 152.5
[M+Na]+ 272.04487 168.2
[M+NH4]+ 267.08947 161.8
[M+K]+ 288.01881 160.0
[M-H]- 248.04837 158.0
[M+Na-2H]- 270.03032 162.3
[M]+ 249.05510 156.7
[M]- 249.05620 156.7
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