CID 43282478

1095098-16-0

Structural Information

Molecular Formula
C15H16BrNO
SMILES
CC1=CC=C(C=C1)OC2=C(C=CC(=C2)Br)CNC
InChI
InChI=1S/C15H16BrNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKey
MRAVFDPXTDKUSM-UHFFFAOYSA-N
Compound name
1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04153 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04881 162.2
[M+Na]+ 328.03075 172.9
[M-H]- 304.03425 171.4
[M+NH4]+ 323.07535 180.8
[M+K]+ 344.00469 160.8
[M+H-H2O]+ 288.03879 160.6
[M+HCOO]- 350.03973 184.7
[M+CH3COO]- 364.05538 204.3
[M+Na-2H]- 326.01620 168.6
[M]+ 305.04098 181.9
[M]- 305.04208 181.9
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.