CID 21209244

2-[4-(propan-2-yl)phenoxy]acetyl chloride

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)Cl
InChI
InChI=1S/C11H13ClO2/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3
InChIKey
YGVLHWFQKYVLFY-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.06041 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 143.4
[M+Na]+ 235.049628 151.5
[M-H]- 211.053134 147.0
[M+NH4]+ 230.094233 163.1
[M+K]+ 251.023568 148.4
[M+H-H2O]+ 195.057670 138.5
[M+HCOO]- 257.058611 161.5
[M+CH3COO]- 271.074261 187.2
[M+Na-2H]- 233.035076 147.0
[M]+ 212.05986142 147.4
[M]- 212.06095858 147.4
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