CID 23309

2-tert-butyl-6-methylbromoacetanilide

Structural Information

Molecular Formula
C13H18BrNO
SMILES
CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CBr
InChI
InChI=1S/C13H18BrNO/c1-9-6-5-7-10(13(2,3)4)12(9)15-11(16)8-14/h5-7H,8H2,1-4H3,(H,15,16)
InChIKey
UYQQCQGAYIGHLJ-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-tert-butyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

283.0572 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06448 159.4
[M+Na]+ 306.04642 169.7
[M-H]- 282.04992 165.7
[M+NH4]+ 301.09102 179.2
[M+K]+ 322.02036 158.2
[M+H-H2O]+ 266.05446 158.9
[M+HCOO]- 328.05540 178.9
[M+CH3COO]- 342.07105 200.8
[M+Na-2H]- 304.03187 164.5
[M]+ 283.05665 178.5
[M]- 283.05775 178.5
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