CID 555161

2-bromotropone

Structural Information

Molecular Formula
C7H5BrO
SMILES
C1=CC=C(C(=O)C=C1)Br
InChI
InChI=1S/C7H5BrO/c8-6-4-2-1-3-5-7(6)9/h1-5H
InChIKey
OKEBJOWOKYAJRA-UHFFFAOYSA-N
Compound name
2-bromocyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

183.95238 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.95966 123.0
[M+Na]+ 206.94160 126.3
[M+NH4]+ 201.98620 128.2
[M+K]+ 222.91554 127.3
[M-H]- 182.94510 123.9
[M+Na-2H]- 204.92705 128.3
[M]+ 183.95183 122.7
[M]- 183.95293 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe