CID 2781312

2-(4-chlorophenoxy)-2-methylpropanoyl chloride

Structural Information

Molecular Formula
C10H10Cl2O2
SMILES
CC(C)(C(=O)Cl)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3
InChIKey
OODRWLGKUBMFLZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

272
Patents

232.00578 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.013056 144.3
[M+Na]+ 254.994998 153.8
[M-H]- 230.998504 147.7
[M+NH4]+ 250.039603 163.8
[M+K]+ 270.968938 149.5
[M+H-H2O]+ 215.003040 140.7
[M+HCOO]- 277.003981 157.1
[M+CH3COO]- 291.019631 188.3
[M+Na-2H]- 252.980446 149.7
[M]+ 232.00523142 149.1
[M]- 232.00632858 149.1
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