CID 2988667

937598-86-2

Structural Information

Molecular Formula
C15H15BrClNO2
SMILES
COC1=C(C=C(C(=C1)CN)Br)OCC2=CC=CC=C2Cl
InChI
InChI=1S/C15H15BrClNO2/c1-19-14-6-11(8-18)12(16)7-15(14)20-9-10-4-2-3-5-13(10)17/h2-7H,8-9,18H2,1H3
InChIKey
HTGOJZLGNUBGCW-UHFFFAOYSA-N
Compound name
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.99747 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00475 171.2
[M+Na]+ 377.98669 183.5
[M-H]- 353.99019 180.1
[M+NH4]+ 373.03129 188.8
[M+K]+ 393.96063 169.8
[M+H-H2O]+ 337.99473 170.1
[M+HCOO]- 399.99567 188.9
[M+CH3COO]- 414.01132 210.2
[M+Na-2H]- 375.97214 175.5
[M]+ 354.99692 193.7
[M]- 354.99802 193.7
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.