CID 4155482

4-chloro-2,2'-dibromo-n-ethyldiphenylamine

Structural Information

Molecular Formula
C14H12Br2ClN
SMILES
CCN(C1=C(C=C(C=C1)Cl)Br)C2=CC=CC=C2Br
InChI
InChI=1S/C14H12Br2ClN/c1-2-18(13-6-4-3-5-11(13)15)14-8-7-10(17)9-12(14)16/h3-9H,2H2,1H3
InChIKey
PCGATYLPGLMEBV-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-bromophenyl)-4-chloro-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.9025 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.90978 162.9
[M+Na]+ 409.89172 174.1
[M-H]- 385.89522 172.9
[M+NH4]+ 404.93632 180.4
[M+K]+ 425.86566 157.1
[M+H-H2O]+ 369.89976 170.2
[M+HCOO]- 431.90070 176.6
[M+CH3COO]- 445.91635 219.5
[M+Na-2H]- 407.87717 168.3
[M]+ 386.90195 198.9
[M]- 386.90305 198.9
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.