CID 12769265

1-bromocyclopentane-1-carbonyl chloride

Structural Information

Molecular Formula
C6H8BrClO
SMILES
C1CCC(C1)(C(=O)Cl)Br
InChI
InChI=1S/C6H8BrClO/c7-6(5(8)9)3-1-2-4-6/h1-4H2
InChIKey
DBUSSDLMLYFONI-UHFFFAOYSA-N
Compound name
1-bromocyclopentane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.94472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95200 137.3
[M+Na]+ 232.93394 149.3
[M-H]- 208.93744 143.5
[M+NH4]+ 227.97854 163.8
[M+K]+ 248.90788 137.8
[M+H-H2O]+ 192.94198 139.9
[M+HCOO]- 254.94292 153.4
[M+CH3COO]- 268.95857 179.4
[M+Na-2H]- 230.91939 143.3
[M]+ 209.94417 154.7
[M]- 209.94527 154.7
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