CID 155970228

2172038-10-5

Structural Information

Molecular Formula
C8H7F3O3S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)F)C(F)F
InChI
InChI=1S/C8H7F3O3S/c1-14-5-2-3-7(15(11,12)13)6(4-5)8(9)10/h2-4,8H,1H3
InChIKey
PLKOLBJKMAPTPE-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01408 152.3
[M+Na]+ 262.99602 160.7
[M+NH4]+ 258.04062 157.2
[M+K]+ 278.96996 154.9
[M-H]- 238.99952 148.3
[M+Na-2H]- 260.98147 154.8
[M]+ 240.00625 152.5
[M]- 240.00735 152.5
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

No patent data available for this compound.