CID 8728

Bromocyclopentane

Structural Information

Molecular Formula
C5H9Br
SMILES
C1CCC(C1)Br
InChI
InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKey
BRTFVKHPEHKBQF-UHFFFAOYSA-N
Compound name
bromocyclopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

8976
Patents

147.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 127.4
[M+Na]+ 170.977968 138.0
[M-H]- 146.981474 133.4
[M+NH4]+ 166.022573 153.6
[M+K]+ 186.951908 128.7
[M+H-H2O]+ 130.986010 128.5
[M+HCOO]- 192.986951 148.6
[M+CH3COO]- 207.002601 171.8
[M+Na-2H]- 168.963416 134.2
[M]+ 147.98820142 142.3
[M]- 147.98929858 142.3
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