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 146.7
[M+Na]+ 268.97427 160.1
[M+NH4]+ 264.01887 154.6
[M+K]+ 284.94821 153.5
[M-H]- 244.97777 147.5
[M+Na-2H]- 266.95972 152.8
[M]+ 245.98450 149.3
[M]- 245.98560 149.3
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