CID 15587413

95414-68-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.01222 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01950 135.8
[M+Na]+ 232.00144 144.8
[M-H]- 208.00494 135.9
[M+NH4]+ 227.04604 154.7
[M+K]+ 247.97538 140.9
[M+H-H2O]+ 192.00948 128.0
[M+HCOO]- 254.01042 151.0
[M+CH3COO]- 268.02607 182.6
[M+Na-2H]- 229.98689 141.7
[M]+ 209.01167 131.7
[M]- 209.01277 131.7
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