CID 62325

Isobutyryl chloride

Structural Information

Molecular Formula
C4H7ClO
SMILES
CC(C)C(=O)Cl
InChI
InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N
Compound name
2-methylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

25803
Patents

106.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 116.1
[M+Na]+ 129.00776 124.8
[M-H]- 105.01126 116.9
[M+NH4]+ 124.05236 140.1
[M+K]+ 144.98170 123.8
[M+H-H2O]+ 89.015800 113.4
[M+HCOO]- 151.01674 134.6
[M+CH3COO]- 165.03239 167.9
[M+Na-2H]- 126.99321 121.6
[M]+ 106.01799 117.9
[M]- 106.01909 117.9
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.