CID 9574774

165549-75-7

Structural Information

Molecular Formula
C12H15ClN2O2S
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)/C=N/OC
InChI
InChI=1S/C12H15ClN2O2S/c1-8(2)17-12(18)15-10-4-5-11(13)9(6-10)7-14-16-3/h4-8H,1-3H3,(H,15,18)/b14-7+
InChIKey
IHKUMDSKBCOMKR-VGOFMYFVSA-N
Compound name
O-propan-2-yl N-[4-chloro-3-[(E)-methoxyiminomethyl]phenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.0543 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06158 163.2
[M+Na]+ 309.04352 170.5
[M-H]- 285.04702 168.3
[M+NH4]+ 304.08812 180.7
[M+K]+ 325.01746 166.4
[M+H-H2O]+ 269.05156 157.1
[M+HCOO]- 331.05250 179.0
[M+CH3COO]- 345.06815 204.5
[M+Na-2H]- 307.02897 163.8
[M]+ 286.05375 169.3
[M]- 286.05485 169.3
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

No patent data available for this compound.