CID 134690735

22133-00-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00879 134.4
[M+Na]+ 211.99073 144.5
[M-H]- 187.99423 139.0
[M+NH4]+ 207.03533 155.5
[M+K]+ 227.96467 139.7
[M+H-H2O]+ 171.99877 130.3
[M+HCOO]- 233.99971 149.7
[M+CH3COO]- 248.01536 179.5
[M+Na-2H]- 209.97618 140.0
[M]+ 189.00096 136.7
[M]- 189.00206 136.7
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.