CID 21612776

4-chloro-2,2-dimethylbutanoyl chloride

Structural Information

Molecular Formula
C6H10Cl2O
SMILES
CC(C)(CCCl)C(=O)Cl
InChI
InChI=1S/C6H10Cl2O/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3
InChIKey
GGYSDFKHZYXXII-UHFFFAOYSA-N
Compound name
4-chloro-2,2-dimethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

168.01086 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01814 131.1
[M+Na]+ 191.00008 140.0
[M-H]- 167.00358 131.2
[M+NH4]+ 186.04468 153.1
[M+K]+ 206.97402 136.5
[M+H-H2O]+ 151.00812 129.2
[M+HCOO]- 213.00906 143.3
[M+CH3COO]- 227.02471 178.2
[M+Na-2H]- 188.98553 136.6
[M]+ 168.01031 134.6
[M]- 168.01141 134.6
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

patents stripe