CID 12569012

2-(2-chlorophenoxy)aniline

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC=C(C(=C1)N)OC2=CC=CC=C2Cl
InChI
InChI=1S/C12H10ClNO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2
InChIKey
KSDCPEXSRBLIRA-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

219.04509 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe