CID 108299039

1934146-42-5

Structural Information

Molecular Formula
C14H12Br2ClNO
SMILES
CNCC1=C(C=C(C=C1)OC2=C(C=C(C=C2)Br)Br)Cl
InChI
InChI=1S/C14H12Br2ClNO/c1-18-8-9-2-4-11(7-13(9)17)19-14-5-3-10(15)6-12(14)16/h2-7,18H,8H2,1H3
InChIKey
JLOZJOWEGZUDIA-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.89743 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.90471 164.6
[M+Na]+ 425.88665 176.0
[M-H]- 401.89015 173.6
[M+NH4]+ 420.93125 181.1
[M+K]+ 441.86059 158.4
[M+H-H2O]+ 385.89469 171.7
[M+HCOO]- 447.89563 177.9
[M+CH3COO]- 461.91128 219.3
[M+Na-2H]- 423.87210 170.0
[M]+ 402.89688 200.9
[M]- 402.89798 200.9
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.