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

199
Patents

219.04509 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 144.9
[M+Na]+ 242.03431 154.3
[M-H]- 218.03781 151.5
[M+NH4]+ 237.07891 163.9
[M+K]+ 258.00825 149.1
[M+H-H2O]+ 202.04235 138.8
[M+HCOO]- 264.04329 166.1
[M+CH3COO]- 278.05894 188.3
[M+Na-2H]- 240.01976 151.5
[M]+ 219.04454 146.1
[M]- 219.04564 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