CID 13560469

2-butoxyacetyl chloride

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CCCCOCC(=O)Cl
InChI
InChI=1S/C6H11ClO2/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3
InChIKey
VDYXCTNJHWITDQ-UHFFFAOYSA-N
Compound name
2-butoxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

150.04475 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05203 128.6
[M+Na]+ 173.03397 136.7
[M-H]- 149.03747 128.9
[M+NH4]+ 168.07857 150.9
[M+K]+ 189.00791 135.1
[M+H-H2O]+ 133.04201 125.2
[M+HCOO]- 195.04295 147.7
[M+CH3COO]- 209.05860 175.0
[M+Na-2H]- 171.01942 134.2
[M]+ 150.04420 133.3
[M]- 150.04530 133.3
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