CID 23619

7215-01-2

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1C(CN1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H10BrN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKey
JHJFWWNFVIMSMT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

210.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 128.6
[M+Na]+ 233.988878 138.4
[M-H]- 209.992384 135.1
[M+NH4]+ 229.033483 143.2
[M+K]+ 249.962818 130.1
[M+H-H2O]+ 193.996920 124.0
[M+HCOO]- 255.997861 146.9
[M+CH3COO]- 270.013511 184.6
[M+Na-2H]- 231.974326 137.1
[M]+ 210.99911142 151.4
[M]- 211.00020858 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

patents stripe