CID 65804653

2-(3-bromophenyl)azetidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.6
[M+Na]+ 233.98888 138.4
[M-H]- 209.99238 135.1
[M+NH4]+ 229.03348 143.2
[M+K]+ 249.96282 130.1
[M+H-H2O]+ 193.99692 124.0
[M+HCOO]- 255.99786 146.9
[M+CH3COO]- 270.01351 184.6
[M+Na-2H]- 231.97433 137.1
[M]+ 210.99911 151.4
[M]- 211.00021 151.4
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.