CID 20564378

75188-06-6

Structural Information

Molecular Formula
C8H5Cl3O
SMILES
C1=CC(=CC=C1C(C(=O)Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl3O/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H
InChIKey
DUPFZQIHJGMFCQ-UHFFFAOYSA-N
Compound name
2-chloro-2-(4-chlorophenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

221.9406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.94788 137.6
[M+Na]+ 244.92982 147.2
[M-H]- 220.93332 139.7
[M+NH4]+ 239.97442 157.1
[M+K]+ 260.90376 141.9
[M+H-H2O]+ 204.93786 134.9
[M+HCOO]- 266.93880 145.9
[M+CH3COO]- 280.95445 186.6
[M+Na-2H]- 242.91527 141.2
[M]+ 221.94005 140.2
[M]- 221.94115 140.2
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