CID 3960217

(dimethylamino)(methyl)oxo(phenyl)-lambda6-sulfanylium; tetrafluoroboranuide

Structural Information

Molecular Formula
C9H14NOS
SMILES
CN(C)[S+](=O)(C)C1=CC=CC=C1
InChI
InChI=1S/C9H14NOS/c1-10(2)12(3,11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKey
OEUUYBYTSKLXRC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08688 136.4
[M+Na]+ 207.06882 143.8
[M-H]- 183.07232 142.1
[M+NH4]+ 202.11342 157.0
[M+K]+ 223.04276 137.1
[M+H-H2O]+ 167.07686 133.3
[M+HCOO]- 229.07780 155.8
[M+CH3COO]- 243.09345 178.2
[M+Na-2H]- 205.05427 144.0
[M]+ 184.07905 137.7
[M]- 184.08015 137.7
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.