CID 86811483

5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride

Structural Information

Molecular Formula
C8H6ClF3O3S
SMILES
CC1=CC(=C(C=C1)OC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClF3O3S/c1-5-2-3-6(15-8(10,11)12)7(4-5)16(9,13)14/h2-4H,1H3
InChIKey
MZUBCESTEHWEEN-UHFFFAOYSA-N
Compound name
5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

273.96783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.97511 156.9
[M+Na]+ 296.95705 165.8
[M+NH4]+ 292.00165 161.9
[M+K]+ 312.93099 159.9
[M-H]- 272.96055 152.6
[M+Na-2H]- 294.94250 159.8
[M]+ 273.96728 157.4
[M]- 273.96838 157.4
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