CID 137699057

2-bromo-2-ethyl-3-methylbutanoyl chloride

Structural Information

Molecular Formula
C7H12BrClO
SMILES
CCC(C(C)C)(C(=O)Cl)Br
InChI
InChI=1S/C7H12BrClO/c1-4-7(8,5(2)3)6(9)10/h5H,4H2,1-3H3
InChIKey
SGMCEKCQFOOJLL-UHFFFAOYSA-N
Compound name
2-bromo-2-ethyl-3-methylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97601 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98329 140.9
[M+Na]+ 248.96523 152.6
[M-H]- 224.96873 144.3
[M+NH4]+ 244.00983 163.8
[M+K]+ 264.93917 141.0
[M+H-H2O]+ 208.97327 143.1
[M+HCOO]- 270.97421 154.8
[M+CH3COO]- 284.98986 187.4
[M+Na-2H]- 246.95068 146.5
[M]+ 225.97546 161.6
[M]- 225.97656 161.6
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

No patent data available for this compound.