CID 138990981

2309474-90-4

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CS(=N)(=O)C1=CC=CC(=C1)CCl
InChI
InChI=1S/C8H10ClNOS/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,10H,6H2,1H3
InChIKey
UDDCJPVXCYZIBZ-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)phenyl]-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02445 141.8
[M+Na]+ 226.00639 154.5
[M+NH4]+ 221.05099 150.9
[M+K]+ 241.98033 145.8
[M-H]- 202.00989 144.1
[M+Na-2H]- 223.99184 148.5
[M]+ 203.01662 145.1
[M]- 203.01772 145.1
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.