CID 10867621

2-bromo-3,3-dimethylbutanoyl chloride

Structural Information

Molecular Formula
C6H10BrClO
SMILES
CC(C)(C)C(C(=O)Cl)Br
InChI
InChI=1S/C6H10BrClO/c1-6(2,3)4(7)5(8)9/h4H,1-3H3
InChIKey
DSJWOLVWBVIHRB-UHFFFAOYSA-N
Compound name
2-bromo-3,3-dimethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

211.96036 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.967636 136.3
[M+Na]+ 234.949578 148.5
[M-H]- 210.953084 139.9
[M+NH4]+ 229.994183 159.8
[M+K]+ 250.923518 137.1
[M+H-H2O]+ 194.957620 138.8
[M+HCOO]- 256.958561 150.5
[M+CH3COO]- 270.974211 184.0
[M+Na-2H]- 232.935026 142.4
[M]+ 211.95981142 156.5
[M]- 211.96090858 156.5
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