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

1
Patents

253.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 139.0
[M+Na]+ 275.999438 150.5
[M-H]- 252.002944 146.2
[M+NH4]+ 271.044043 154.3
[M+K]+ 291.973378 141.7
[M+H-H2O]+ 236.007480 135.3
[M+HCOO]- 298.008421 156.9
[M+CH3COO]- 312.024071 192.7
[M+Na-2H]- 273.984886 146.1
[M]+ 253.00967142 164.2
[M]- 253.01076858 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

patents stripe