CID 520094

N-(4-bromophenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
ZXYSRVSPDUSHBX-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.9
[M+Na]+ 278.01510 161.1
[M-H]- 254.01860 157.2
[M+NH4]+ 273.05970 171.5
[M+K]+ 293.98904 150.1
[M+H-H2O]+ 238.02314 150.7
[M+HCOO]- 300.02408 171.1
[M+CH3COO]- 314.03973 194.0
[M+Na-2H]- 276.00055 157.7
[M]+ 255.02533 169.0
[M]- 255.02643 169.0
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