CID 8855

Butyryl chloride

Structural Information

Molecular Formula
C4H7ClO
SMILES
CCCC(=O)Cl
InChI
InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey
DVECBJCOGJRVPX-UHFFFAOYSA-N
Compound name
butanoyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

26163
Patents

106.01854 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 116.4
[M+Na]+ 129.00776 125.3
[M-H]- 105.01126 117.0
[M+NH4]+ 124.05236 140.4
[M+K]+ 144.98170 123.8
[M+H-H2O]+ 89.015800 113.5
[M+HCOO]- 151.01674 135.8
[M+CH3COO]- 165.03239 167.0
[M+Na-2H]- 126.99321 123.1
[M]+ 106.01799 118.7
[M]- 106.01909 118.7
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.