CID 62493161

2089258-30-8

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)Cl)CN)C
InChI
InChI=1S/C15H16ClNO/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3
InChIKey
ZYSZBROWQSNGTI-UHFFFAOYSA-N
Compound name
[5-chloro-2-(3,4-dimethylphenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 158.9
[M+Na]+ 284.08126 168.8
[M-H]- 260.08476 165.7
[M+NH4]+ 279.12586 176.7
[M+K]+ 300.05520 163.0
[M+H-H2O]+ 244.08930 152.5
[M+HCOO]- 306.09024 179.0
[M+CH3COO]- 320.10589 199.6
[M+Na-2H]- 282.06671 162.3
[M]+ 261.09149 161.8
[M]- 261.09259 161.8
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.