CID 113458720

2-chloro-6-(3,5-dimethylphenoxy)aniline

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=CC=C2)Cl)N)C
InChI
InChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKey
UTCWAMODOYJOBT-UHFFFAOYSA-N
Compound name
2-chloro-6-(3,5-dimethylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.083666 154.2
[M+Na]+ 270.065608 164.5
[M-H]- 246.069114 161.2
[M+NH4]+ 265.110213 172.6
[M+K]+ 286.039548 159.0
[M+H-H2O]+ 230.073650 148.0
[M+HCOO]- 292.074591 174.6
[M+CH3COO]- 306.090241 196.6
[M+Na-2H]- 268.051056 158.1
[M]+ 247.07584142 156.8
[M]- 247.07693858 156.8
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

No patent data available for this compound.