CID 2782768

3-chloro-4-(trifluoromethoxy)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H3Cl2F3O3S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)OC(F)(F)F
InChI
InChI=1S/C7H3Cl2F3O3S/c8-5-3-4(16(9,13)14)1-2-6(5)15-7(10,11)12/h1-3H
InChIKey
LKVVZQXNPJBJDU-UHFFFAOYSA-N
Compound name
3-chloro-4-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

293.9132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.92048 155.2
[M+Na]+ 316.90242 164.6
[M+NH4]+ 311.94702 160.3
[M+K]+ 332.87636 158.5
[M-H]- 292.90592 150.8
[M+Na-2H]- 314.88787 158.4
[M]+ 293.91265 155.9
[M]- 293.91375 155.9
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