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]+ 191.042976 128.5
[M+Na]+ 213.024918 137.2
[M-H]- 189.028424 134.3
[M+NH4]+ 208.069523 145.8
[M+K]+ 228.998858 130.0
[M+H-H2O]+ 173.032960 124.9
[M+HCOO]- 235.033901 148.0
[M+CH3COO]- 249.049551 185.3
[M+Na-2H]- 211.010366 136.2
[M]+ 190.03515142 153.9
[M]- 190.03624858 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

patents stripe