CID 132371430

2155855-52-8

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1CC2=C(C=C(O2)Br)C(=O)NC1
InChI
InChI=1S/C8H8BrNO2/c9-7-4-5-6(12-7)2-1-3-10-8(5)11/h4H,1-3H2,(H,10,11)
InChIKey
YBLQELIDJVTXAV-UHFFFAOYSA-N
Compound name
2-bromo-5,6,7,8-tetrahydrofuro[3,2-c]azepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 140.7
[M+Na]+ 251.96307 141.7
[M+NH4]+ 247.00767 144.7
[M+K]+ 267.93701 145.0
[M-H]- 227.96657 140.8
[M+Na-2H]- 249.94852 141.4
[M]+ 228.97330 139.6
[M]- 228.97440 139.6
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.