CID 11780114

4-bromo-2,6-diisopropylaniline

Structural Information

Molecular Formula
C12H18BrN
SMILES
CC(C)C1=CC(=CC(=C1N)C(C)C)Br
InChI
InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKey
QAQRHTYPYQPBSX-UHFFFAOYSA-N
Compound name
4-bromo-2,6-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

430
Patents

255.06226 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06954 153.6
[M+Na]+ 278.05148 164.1
[M-H]- 254.05498 159.6
[M+NH4]+ 273.09608 174.3
[M+K]+ 294.02542 152.6
[M+H-H2O]+ 238.05952 153.0
[M+HCOO]- 300.06046 172.8
[M+CH3COO]- 314.07611 199.2
[M+Na-2H]- 276.03693 155.7
[M]+ 255.06171 171.0
[M]- 255.06281 171.0
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