CID 89848

6-bromohexanoyl chloride

Structural Information

Molecular Formula
C6H10BrClO
SMILES
C(CCC(=O)Cl)CCBr
InChI
InChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey
HBPVGJGBRWIVSX-UHFFFAOYSA-N
Compound name
6-bromohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2100
Patents

211.96036 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96764 136.0
[M+Na]+ 234.94958 147.9
[M-H]- 210.95308 139.1
[M+NH4]+ 229.99418 159.3
[M+K]+ 250.92352 135.8
[M+H-H2O]+ 194.95762 137.8
[M+HCOO]- 256.95856 152.5
[M+CH3COO]- 270.97421 183.6
[M+Na-2H]- 232.93503 142.7
[M]+ 211.95981 157.3
[M]- 211.96091 157.3
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