CID 165591640

2731011-40-6

Structural Information

Molecular Formula
C8H6ClF3O2S
SMILES
C1=CC(=C(C=C1C(F)F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)4-6-2-1-5(8(11)12)3-7(6)10/h1-3,8H,4H2
InChIKey
FQMQXEWUVDOMTD-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-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]+ 258.980176 141.6
[M+Na]+ 280.962118 152.5
[M-H]- 256.965624 142.2
[M+NH4]+ 276.006723 160.1
[M+K]+ 296.936058 147.4
[M+H-H2O]+ 240.970160 134.8
[M+HCOO]- 302.971101 151.8
[M+CH3COO]- 316.986751 190.0
[M+Na-2H]- 278.947566 143.4
[M]+ 257.97235142 143.0
[M]- 257.97344858 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.