CID 78110

Bromocyclobutane

Structural Information

Molecular Formula
C4H7Br
SMILES
C1CC(C1)Br
InChI
InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
InChIKey
KXVUSQIDCZRUKF-UHFFFAOYSA-N
Compound name
bromocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5028
Patents

133.97311 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.98039 109.7
[M+Na]+ 156.96233 120.0
[M-H]- 132.96583 116.2
[M+NH4]+ 152.00693 129.1
[M+K]+ 172.93627 113.9
[M+H-H2O]+ 116.97037 107.0
[M+HCOO]- 178.97131 130.5
[M+CH3COO]- 192.98696 174.4
[M+Na-2H]- 154.94778 119.7
[M]+ 133.97256 133.8
[M]- 133.97366 133.8
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