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
3
Annotation Hits

0
References

2106
Patents

211.96036 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.967636 136.0
[M+Na]+ 234.949578 147.9
[M-H]- 210.953084 139.1
[M+NH4]+ 229.994183 159.3
[M+K]+ 250.923518 135.8
[M+H-H2O]+ 194.957620 137.8
[M+HCOO]- 256.958561 152.5
[M+CH3COO]- 270.974211 183.6
[M+Na-2H]- 232.935026 142.7
[M]+ 211.95981142 157.3
[M]- 211.96090858 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