CID 134159129

2138179-87-8

Structural Information

Molecular Formula
C7H5F3O2S
SMILES
C1=CC(=C(C(=C1)F)CS(=O)(=O)F)F
InChI
InChI=1S/C7H5F3O2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2
InChIKey
KJTHTMCGSWEFQU-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.99623 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00351 133.3
[M+Na]+ 232.98545 144.3
[M-H]- 208.98895 134.0
[M+NH4]+ 228.03005 152.9
[M+K]+ 248.95939 140.8
[M+H-H2O]+ 192.99349 125.6
[M+HCOO]- 254.99443 149.2
[M+CH3COO]- 269.01008 182.4
[M+Na-2H]- 230.97090 136.8
[M]+ 209.99568 132.9
[M]- 209.99678 132.9
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.