CID 135378998

944453-80-9

Structural Information

Molecular Formula
C9H2ClF9O2S
SMILES
C1=C(C=C(C(=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H2ClF9O2S/c10-22(20,21)6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
InChIKey
NPZZWUGVSJMTRC-UHFFFAOYSA-N
Compound name
2,4,6-tris(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

379.93204 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.93932 161.7
[M+Na]+ 402.92126 174.2
[M-H]- 378.92476 155.5
[M+NH4]+ 397.96586 175.0
[M+K]+ 418.89520 167.8
[M+H-H2O]+ 362.92930 150.3
[M+HCOO]- 424.93024 161.8
[M+CH3COO]- 438.94589 210.1
[M+Na-2H]- 400.90671 163.3
[M]+ 379.93149 154.5
[M]- 379.93259 154.5
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