CID 15440799

2,4-difluorophenyl trifluoromethanesulphonate

Structural Information

Molecular Formula
C7H3F5O3S
SMILES
C1=CC(=C(C=C1F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H3F5O3S/c8-4-1-2-6(5(9)3-4)15-16(13,14)7(10,11)12/h1-3H
InChIKey
HDPFJBUPWOYJFO-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

261.97232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97960 142.5
[M+Na]+ 284.96154 153.7
[M-H]- 260.96504 140.7
[M+NH4]+ 280.00614 159.8
[M+K]+ 300.93548 150.3
[M+H-H2O]+ 244.96958 133.2
[M+HCOO]- 306.97052 155.0
[M+CH3COO]- 320.98617 190.0
[M+Na-2H]- 282.94699 146.0
[M]+ 261.97177 140.4
[M]- 261.97287 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe