CID 10488798

4-bromo-n-isopropylaniline

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey
GCAYZUSDLCJJAW-UHFFFAOYSA-N
Compound name
4-bromo-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

213.0153 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.0
[M+Na]+ 236.00452 141.3
[M+NH4]+ 231.04912 143.7
[M+K]+ 251.97846 140.7
[M-H]- 212.00802 139.8
[M+Na-2H]- 233.98997 142.5
[M]+ 213.01475 137.8
[M]- 213.01585 137.8
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

patents stripe