CID 139022653

2344681-43-0

Structural Information

Molecular Formula
C7H6F3NOS
SMILES
C1=CC=C(C(=C1)F)S(=N)(=O)C(F)F
InChI
InChI=1S/C7H6F3NOS/c8-5-3-1-2-4-6(5)13(11,12)7(9)10/h1-4,7,11H
InChIKey
NICJHOKYDLNPPM-UHFFFAOYSA-N
Compound name
difluoromethyl-(2-fluorophenyl)-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01222 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01950 134.6
[M+Na]+ 232.00144 143.6
[M-H]- 208.00494 134.8
[M+NH4]+ 227.04604 153.5
[M+K]+ 247.97538 139.8
[M+H-H2O]+ 192.00948 126.5
[M+HCOO]- 254.01042 150.2
[M+CH3COO]- 268.02607 184.8
[M+Na-2H]- 229.98689 137.9
[M]+ 209.01167 130.9
[M]- 209.01277 130.9
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.