CID 47003287

N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C11H11ClN2OS/c1-7(2)15-11(16)14-9-4-3-8(6-13)10(12)5-9/h3-5,7H,1-2H3,(H,14,16)
InChIKey
KQONCFCZEYDGPM-UHFFFAOYSA-N
Compound name
O-propan-2-yl N-(3-chloro-4-cyanophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 149.9
[M+Na]+ 277.01728 161.1
[M+NH4]+ 272.06188 154.8
[M+K]+ 292.99122 150.5
[M-H]- 253.02078 145.0
[M+Na-2H]- 275.00273 153.0
[M]+ 254.02751 149.9
[M]- 254.02861 149.9
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.

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No patent data available for this compound.