CID 43236856

4-bromo-2-chloro-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H11BrClN
SMILES
CC(C)NC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKey
MMEBZTPZVFYIEJ-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.97633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98361 144.3
[M+Na]+ 269.96555 156.5
[M-H]- 245.96905 150.8
[M+NH4]+ 265.01015 166.3
[M+K]+ 285.93949 143.5
[M+H-H2O]+ 229.97359 145.0
[M+HCOO]- 291.97453 161.9
[M+CH3COO]- 305.99018 192.9
[M+Na-2H]- 267.95100 150.7
[M]+ 246.97578 163.9
[M]- 246.97688 163.9
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.