CID 8855

Butyryl chloride

Structural Information

Molecular Formula

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: 26216
Patents: 106.01854 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	107.025816	116.4
[M+Na]+	129.007758	125.3
[M-H]-	105.011264	117.0
[M+NH4]+	124.052363	140.4
[M+K]+	144.981698	123.8
[M+H-H2O]+	89.015800	113.5
[M+HCOO]-	151.016741	135.8
[M+CH3COO]-	165.032391	167.0
[M+Na-2H]-	126.993206	123.1
[M]+	106.01799142	118.7
[M]-	106.01908858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe