CID 102433412

2174002-44-7

Structural Information

Molecular Formula
C8H11NO2S
SMILES
COC1=CC(=CC=C1)S(=N)(=O)C
InChI
InChI=1S/C8H11NO2S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9H,1-2H3
InChIKey
MWKKHJXJLJJQNF-UHFFFAOYSA-N
Compound name
imino-(3-methoxyphenyl)-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.05106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 136.0
[M+Na]+ 208.040278 144.8
[M-H]- 184.043784 140.3
[M+NH4]+ 203.084883 156.3
[M+K]+ 224.014218 142.1
[M+H-H2O]+ 168.048320 130.5
[M+HCOO]- 230.049261 155.7
[M+CH3COO]- 244.064911 180.8
[M+Na-2H]- 206.025726 141.7
[M]+ 185.05051142 138.2
[M]- 185.05160858 138.2
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

patents stripe