CID 155821560

3-bromo-1-phenylazetidine

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1C(CN1C2=CC=CC=C2)Br
InChI
InChI=1S/C9H10BrN/c10-8-6-11(7-8)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
SJQLZSHKNVBYOH-UHFFFAOYSA-N
Compound name
3-bromo-1-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.99966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 126.8
[M+Na]+ 233.988878 137.1
[M-H]- 209.992384 134.6
[M+NH4]+ 229.033483 142.1
[M+K]+ 249.962818 129.7
[M+H-H2O]+ 193.996920 122.1
[M+HCOO]- 255.997861 146.5
[M+CH3COO]- 270.013511 187.0
[M+Na-2H]- 231.974326 136.0
[M]+ 210.99911142 151.3
[M]- 211.00020858 151.3
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.