CID 139184

2,6-dibromo-4-isopropylaniline

Structural Information

Molecular Formula
C9H11Br2N
SMILES
CC(C)C1=CC(=C(C(=C1)Br)N)Br
InChI
InChI=1S/C9H11Br2N/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
InChIKey
CJEBZUFROMNDEK-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

290.9258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93308 144.1
[M+Na]+ 313.91502 154.7
[M-H]- 289.91852 150.6
[M+NH4]+ 308.95962 163.2
[M+K]+ 329.88896 138.6
[M+H-H2O]+ 273.92306 151.1
[M+HCOO]- 335.92400 159.7
[M+CH3COO]- 349.93965 206.3
[M+Na-2H]- 311.90047 148.8
[M]+ 290.92525 176.5
[M]- 290.92635 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe