CID 58346963

3-bromocyclobutanone

Structural Information

Molecular Formula
C4H5BrO
SMILES
C1C(CC1=O)Br
InChI
InChI=1S/C4H5BrO/c5-3-1-4(6)2-3/h3H,1-2H2
InChIKey
SMBXPJHSQKKYFY-UHFFFAOYSA-N
Compound name
3-bromocyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

147.95238 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.959656 110.3
[M+Na]+ 170.941598 121.4
[M-H]- 146.945104 117.0
[M+NH4]+ 165.986203 129.2
[M+K]+ 186.915538 115.1
[M+H-H2O]+ 130.949640 107.4
[M+HCOO]- 192.950581 131.4
[M+CH3COO]- 206.966231 176.2
[M+Na-2H]- 168.927046 119.5
[M]+ 147.95183142 135.3
[M]- 147.95292858 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