CID 41972

4-(3-chlorophenoxy)aniline

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)N
InChI
InChI=1S/C12H10ClNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
InChIKey
COOTUHZXYCEPGE-UHFFFAOYSA-N
Compound name
4-(3-chlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

219.04509 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 144.9
[M+Na]+ 242.034308 154.3
[M-H]- 218.037814 151.5
[M+NH4]+ 237.078913 163.9
[M+K]+ 258.008248 149.1
[M+H-H2O]+ 202.042350 138.8
[M+HCOO]- 264.043291 166.1
[M+CH3COO]- 278.058941 188.3
[M+Na-2H]- 240.019756 151.5
[M]+ 219.04454142 146.1
[M]- 219.04563858 146.1
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