CID 122164238

4-(4-bromophenyl)-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC1(C(NC1=O)C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C11H12BrNO/c1-11(2)9(13-10(11)14)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,13,14)
InChIKey
GOYFRJCGKBXHGA-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 147.1
[M+Na]+ 275.99944 147.4
[M+NH4]+ 271.04404 149.6
[M+K]+ 291.97338 147.2
[M-H]- 252.00294 145.9
[M+Na-2H]- 273.98489 149.9
[M]+ 253.00967 144.8
[M]- 253.01077 144.8
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

No patent data available for this compound.