CID 12266979

2-(propan-2-yloxy)acetyl chloride

Structural Information

Molecular Formula
C5H9ClO2
SMILES
CC(C)OCC(=O)Cl
InChI
InChI=1S/C5H9ClO2/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3
InChIKey
PHIQSJFVVPYMOR-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

136.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 123.8
[M+Na]+ 159.01833 132.1
[M-H]- 135.02183 124.4
[M+NH4]+ 154.06293 146.5
[M+K]+ 174.99227 131.2
[M+H-H2O]+ 119.02637 120.7
[M+HCOO]- 181.02731 142.2
[M+CH3COO]- 195.04296 172.8
[M+Na-2H]- 157.00378 128.7
[M]+ 136.02856 127.4
[M]- 136.02966 127.4
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

patents stripe