CID 91997521

Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-

Structural Information

Molecular Formula
C11H9Cl2F3O4S
SMILES
CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)Cl)Cl)COCC(F)(F)F
InChI
InChI=1S/C11H9Cl2F3O4S/c1-21(18,19)8-3-2-6(10(13)17)9(12)7(8)4-20-5-11(14,15)16/h2-3H,4-5H2,1H3
InChIKey
YGWVWXIUXUSKSY-UHFFFAOYSA-N
Compound name
2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

363.95508 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.96236 173.4
[M+Na]+ 386.94430 181.5
[M+NH4]+ 381.98890 177.0
[M+K]+ 402.91824 176.0
[M-H]- 362.94780 168.0
[M+Na-2H]- 384.92975 174.8
[M]+ 363.95453 173.6
[M]- 363.95563 173.6
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