CID 54032800

(2-bromoethyl)cyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
C1CC(C1)CCBr
InChI
InChI=1S/C6H11Br/c7-5-4-6-2-1-3-6/h6H,1-5H2
InChIKey
LGUPKKDAPJQUOD-UHFFFAOYSA-N
Compound name
2-bromoethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

162.00441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 119.2
[M+Na]+ 184.99363 128.6
[M-H]- 160.99713 125.3
[M+NH4]+ 180.03823 137.5
[M+K]+ 200.96757 122.0
[M+H-H2O]+ 145.00167 115.9
[M+HCOO]- 207.00261 139.3
[M+CH3COO]- 221.01826 179.9
[M+Na-2H]- 182.97908 128.0
[M]+ 162.00386 143.8
[M]- 162.00496 143.8
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

patents stripe