CID 24949043

[(oxido)phenyl(trifluoromethyl)-lambda4-sulfanylidene]dimethylammonium tetrafluoroborate

Structural Information

Molecular Formula
C9H11F3NOS
SMILES
CN(C)[S+](=O)(C1=CC=CC=C1)C(F)(F)F
InChI
InChI=1S/C9H11F3NOS/c1-13(2)15(14,9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKey
LVUNYUMWMXEEON-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05863 142.8
[M+Na]+ 261.04057 150.6
[M-H]- 237.04407 144.4
[M+NH4]+ 256.08517 161.0
[M+K]+ 277.01451 143.1
[M+H-H2O]+ 221.04861 137.1
[M+HCOO]- 283.04955 157.5
[M+CH3COO]- 297.06520 186.1
[M+Na-2H]- 259.02602 149.8
[M]+ 238.05080 139.9
[M]- 238.05190 139.9
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.