CID 16227671

3-bromo-5-chloro-2-ethoxyaniline

Structural Information

Molecular Formula
C8H9BrClNO
SMILES
CCOC1=C(C=C(C=C1Br)Cl)N
InChI
InChI=1S/C8H9BrClNO/c1-2-12-8-6(9)3-5(10)4-7(8)11/h3-4H,2,11H2,1H3
InChIKey
MDEFOEROVTUFGV-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-2-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96288 142.3
[M+Na]+ 271.94482 155.9
[M-H]- 247.94832 148.7
[M+NH4]+ 266.98942 164.2
[M+K]+ 287.91876 142.9
[M+H-H2O]+ 231.95286 143.0
[M+HCOO]- 293.95380 160.7
[M+CH3COO]- 307.96945 191.7
[M+Na-2H]- 269.93027 148.7
[M]+ 248.95505 162.8
[M]- 248.95615 162.8
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.