CID 11207356

4-(chlorocarbonyl)phenyl 3-chloropropanoate

Structural Information

Molecular Formula
C10H8Cl2O3
SMILES
C1=CC(=CC=C1C(=O)Cl)OC(=O)CCCl
InChI
InChI=1S/C10H8Cl2O3/c11-6-5-9(13)15-8-3-1-7(2-4-8)10(12)14/h1-4H,5-6H2
InChIKey
QNIHYRRUBGESGN-UHFFFAOYSA-N
Compound name
(4-carbonochloridoylphenyl) 3-chloropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.98505 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992326 145.4
[M+Na]+ 268.974268 154.6
[M-H]- 244.977774 148.7
[M+NH4]+ 264.018873 164.2
[M+K]+ 284.948208 150.3
[M+H-H2O]+ 228.982310 141.5
[M+HCOO]- 290.983251 159.3
[M+CH3COO]- 304.998901 189.3
[M+Na-2H]- 266.959716 149.1
[M]+ 245.98450142 150.9
[M]- 245.98559858 150.9
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