CID 21559951

(4-bromobutyl)cyclobutane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CC(C1)CCCCBr
InChI
InChI=1S/C8H15Br/c9-7-2-1-4-8-5-3-6-8/h8H,1-7H2
InChIKey
FKXLHTCGLDDCRD-UHFFFAOYSA-N
Compound name
4-bromobutylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.0357 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 128.5
[M+Na]+ 213.02492 137.2
[M-H]- 189.02842 134.3
[M+NH4]+ 208.06952 145.8
[M+K]+ 228.99886 130.0
[M+H-H2O]+ 173.03296 124.9
[M+HCOO]- 235.03390 148.0
[M+CH3COO]- 249.04955 185.3
[M+Na-2H]- 211.01037 136.2
[M]+ 190.03515 153.9
[M]- 190.03625 153.9
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

No patent data available for this compound.