CID 65579235

2-(4-bromophenyl)azetidine

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CNC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H10BrN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2
InChIKey
KJWNZTPBMDNIPA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

210.99966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 134.7
[M+Na]+ 233.98888 135.1
[M+NH4]+ 229.03348 137.1
[M+K]+ 249.96282 136.0
[M-H]- 209.99238 134.2
[M+Na-2H]- 231.97433 137.8
[M]+ 210.99911 132.5
[M]- 211.00021 132.5
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