CID 11252495

2-bromo-1-cyclopentylethanone

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CCC(C1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c8-5-7(9)6-3-1-2-4-6/h6H,1-5H2
InChIKey
CIQIZFMMQXIJTI-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopentylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

189.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 138.9
[M+Na]+ 212.988548 148.6
[M-H]- 188.992054 144.6
[M+NH4]+ 208.033153 163.4
[M+K]+ 228.962488 139.0
[M+H-H2O]+ 172.996590 139.6
[M+HCOO]- 234.997531 158.9
[M+CH3COO]- 249.013181 179.0
[M+Na-2H]- 210.973996 143.4
[M]+ 189.99878142 154.5
[M]- 189.99987858 154.5
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