CID 12578975

2-bromocyclobutan-1-one

Structural Information

Molecular Formula
C4H5BrO
SMILES
C1CC(=O)C1Br
InChI
InChI=1S/C4H5BrO/c5-3-1-2-4(3)6/h3H,1-2H2
InChIKey
XQZZIZVMMMRELO-UHFFFAOYSA-N
Compound name
2-bromocyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

147.95238 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.95966 110.3
[M+Na]+ 170.94160 121.4
[M-H]- 146.94510 117.0
[M+NH4]+ 165.98620 129.2
[M+K]+ 186.91554 115.1
[M+H-H2O]+ 130.94964 107.4
[M+HCOO]- 192.95058 131.4
[M+CH3COO]- 206.96623 176.2
[M+Na-2H]- 168.92705 119.5
[M]+ 147.95183 135.3
[M]- 147.95293 135.3
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