CID 389727

Nsc686319

Structural Information

Molecular Formula
C13H10BrNO
SMILES
C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C13H10BrNO/c14-10-4-1-3-9(7-10)12-8-13(16)11-5-2-6-15(11)12/h1-7,12H,8H2
InChIKey
HHJNWVACIPCECX-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.99457 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 157.5
[M+Na]+ 297.98379 170.9
[M-H]- 273.98729 167.3
[M+NH4]+ 293.02839 180.9
[M+K]+ 313.95773 159.5
[M+H-H2O]+ 257.99183 157.8
[M+HCOO]- 319.99277 179.1
[M+CH3COO]- 334.00842 173.0
[M+Na-2H]- 295.96924 161.4
[M]+ 274.99402 176.3
[M]- 274.99512 176.3
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.