CID 13600393

92523-34-7

Structural Information

Molecular Formula
C7H8ClNOS
SMILES
CS(=N)(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C7H8ClNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
PNGCZENDLRKRJG-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.00151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00879 137.4
[M+Na]+ 211.99073 150.3
[M+NH4]+ 207.03533 146.6
[M+K]+ 227.96467 141.8
[M-H]- 187.99423 139.7
[M+Na-2H]- 209.97618 144.4
[M]+ 189.00096 140.7
[M]- 189.00206 140.7
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

patents stripe