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

0
Patents

245.98505 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99233 145.4
[M+Na]+ 268.97427 154.6
[M-H]- 244.97777 148.7
[M+NH4]+ 264.01887 164.2
[M+K]+ 284.94821 150.3
[M+H-H2O]+ 228.98231 141.5
[M+HCOO]- 290.98325 159.3
[M+CH3COO]- 304.99890 189.3
[M+Na-2H]- 266.95972 149.1
[M]+ 245.98450 150.9
[M]- 245.98560 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