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 139.0
[M+Na]+ 275.99944 150.5
[M-H]- 252.00294 146.2
[M+NH4]+ 271.04404 154.3
[M+K]+ 291.97338 141.7
[M+H-H2O]+ 236.00748 135.3
[M+HCOO]- 298.00842 156.9
[M+CH3COO]- 312.02407 192.7
[M+Na-2H]- 273.98489 146.1
[M]+ 253.00967 164.2
[M]- 253.01077 164.2
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.