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]+ 212.00694 133.3
[M+Na]+ 233.98888 134.1
[M+NH4]+ 229.03348 135.9
[M+K]+ 249.96282 134.9
[M-H]- 209.99238 133.2
[M+Na-2H]- 231.97433 136.9
[M]+ 210.99911 131.3
[M]- 211.00021 131.3
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.