CID 12463935

1889-63-0

Structural Information

Molecular Formula
C8H11NOS
SMILES
CCS(=N)(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H11NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
AQERBDXVCFTGGY-UHFFFAOYSA-N
Compound name
ethyl-imino-oxo-phenyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

169.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 132.9
[M+Na]+ 192.04536 141.1
[M-H]- 168.04886 137.0
[M+NH4]+ 187.08996 153.7
[M+K]+ 208.01930 137.8
[M+H-H2O]+ 152.05340 127.5
[M+HCOO]- 214.05434 152.5
[M+CH3COO]- 228.06999 177.6
[M+Na-2H]- 190.03081 139.2
[M]+ 169.05559 133.4
[M]- 169.05669 133.4
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