CID 82160200

2-[4-(trifluoromethyl)phenyl]ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClF3O2S
SMILES
C1=CC(=CC=C1CCS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C9H8ClF3O2S/c10-16(14,15)6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2
InChIKey
TVYWWRSPBWVOHJ-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.98856 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99584 157.6
[M+Na]+ 294.97778 166.5
[M+NH4]+ 290.02238 163.0
[M+K]+ 310.95172 159.7
[M-H]- 270.98128 153.7
[M+Na-2H]- 292.96323 160.9
[M]+ 271.98801 158.2
[M]- 271.98911 158.2
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

No patent data available for this compound.