CID 521173

5-bromovaleryl chloride

Structural Information

Molecular Formula
C5H8BrClO
SMILES
C(CCBr)CC(=O)Cl
InChI
InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey
OKRUMSWHDWKGHA-UHFFFAOYSA-N
Compound name
5-bromopentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1927
Patents

197.94472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95200 131.3
[M+Na]+ 220.93394 143.6
[M-H]- 196.93744 134.6
[M+NH4]+ 215.97854 155.1
[M+K]+ 236.90788 131.8
[M+H-H2O]+ 180.94198 133.3
[M+HCOO]- 242.94292 148.1
[M+CH3COO]- 256.95857 180.8
[M+Na-2H]- 218.91939 138.6
[M]+ 197.94417 152.3
[M]- 197.94527 152.3
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