CID 66738

5-chloro-2-phenoxyaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

6
References

311
Patents

219.04509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 145.0
[M+Na]+ 242.03431 161.1
[M+NH4]+ 237.07891 155.1
[M+K]+ 258.00825 152.3
[M-H]- 218.03781 151.0
[M+Na-2H]- 240.01976 155.8
[M]+ 219.04454 149.5
[M]- 219.04564 149.5
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