CID 62493

Pivaloyl chloride

Structural Information

Molecular Formula
C5H9ClO
SMILES
CC(C)(C)C(=O)Cl
InChI
InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3
InChIKey
JVSFQJZRHXAUGT-UHFFFAOYSA-N
Compound name
2,2-dimethylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

51569
Patents

120.034195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 121.9
[M+Na]+ 143.02341 133.4
[M+NH4]+ 138.06802 130.6
[M+K]+ 158.99735 128.4
[M-H]- 119.02692 121.1
[M+Na-2H]- 141.00886 126.5
[M]+ 120.03365 123.5
[M]- 120.03474 123.5
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