CID 117400158

[4-(difluoromethyl)-3-fluorophenyl]methanesulfonylchloride

Structural Information

Molecular Formula
C8H6ClF3O2S
SMILES
C1=CC(=C(C=C1CS(=O)(=O)Cl)F)C(F)F
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)4-5-1-2-6(8(11)12)7(10)3-5/h1-3,8H,4H2
InChIKey
ZUVONHGODXGSSL-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-3-fluorophenyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9729 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98018 141.6
[M+Na]+ 280.96212 152.5
[M-H]- 256.96562 142.2
[M+NH4]+ 276.00672 160.1
[M+K]+ 296.93606 147.4
[M+H-H2O]+ 240.97016 134.8
[M+HCOO]- 302.97110 151.8
[M+CH3COO]- 316.98675 190.0
[M+Na-2H]- 278.94757 143.4
[M]+ 257.97235 143.0
[M]- 257.97345 143.0
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.