CID 47002128

1-difluoromethanesulfonyl-2-fluorobenzene

Structural Information

Molecular Formula
C7H5F3O2S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)C(F)F
InChI
InChI=1S/C7H5F3O2S/c8-5-3-1-2-4-6(5)13(11,12)7(9)10/h1-4,7H
InChIKey
FHJHSNGZQYRXDX-UHFFFAOYSA-N
Compound name
1-(difluoromethylsulfonyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

209.99623 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.003506 133.7
[M+Na]+ 232.985448 143.6
[M-H]- 208.988954 134.2
[M+NH4]+ 228.030053 153.0
[M+K]+ 248.959388 140.6
[M+H-H2O]+ 192.993490 126.0
[M+HCOO]- 254.994431 148.7
[M+CH3COO]- 269.010081 182.1
[M+Na-2H]- 230.970896 136.8
[M]+ 209.99568142 132.4
[M]- 209.99677858 132.4
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