CID 43283244

1095192-34-9

Structural Information

Molecular Formula
C14H13BrClNO
SMILES
CNCC1=C(C=C(C=C1)Br)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H13BrClNO/c1-17-9-10-5-6-11(15)7-14(10)18-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKey
VFHGRQVRODJHMO-UHFFFAOYSA-N
Compound name
1-[4-bromo-2-(3-chlorophenoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9869 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99418 163.2
[M+Na]+ 347.97612 175.4
[M-H]- 323.97962 172.4
[M+NH4]+ 343.02072 182.0
[M+K]+ 363.95006 161.6
[M+H-H2O]+ 307.98416 162.5
[M+HCOO]- 369.98510 181.7
[M+CH3COO]- 384.00075 204.9
[M+Na-2H]- 345.96157 169.8
[M]+ 324.98635 184.7
[M]- 324.98745 184.7
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.