CID 3016752

2-(trichloromethyl)benzoyl chloride

Structural Information

Molecular Formula
C8H4Cl4O
SMILES
C1=CC=C(C(=C1)C(=O)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H4Cl4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChIKey
LJMNEQZBOODJQR-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

255.90163 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.908906 146.5
[M+Na]+ 278.890848 156.1
[M-H]- 254.894354 147.2
[M+NH4]+ 273.935453 164.2
[M+K]+ 294.864788 150.3
[M+H-H2O]+ 238.898890 144.2
[M+HCOO]- 300.899831 148.4
[M+CH3COO]- 314.915481 191.6
[M+Na-2H]- 276.876296 150.0
[M]+ 255.90108142 148.0
[M]- 255.90217858 148.0
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