CID 9576032

Du pont 1335

Structural Information

Molecular Formula
C10H11ClN2O2S
SMILES
CNC(=O)O/N=C(/C1=CC=C(C=C1)Cl)\SC
InChI
InChI=1S/C10H11ClN2O2S/c1-12-10(14)15-13-9(16-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,14)/b13-9-
InChIKey
BAIUXJCALQSOKD-LCYFTJDESA-N
Compound name
methyl (1Z)-4-chloro-N-(methylcarbamoyloxy)benzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02298 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03026 154.7
[M+Na]+ 281.01220 162.1
[M-H]- 257.01570 160.0
[M+NH4]+ 276.05680 173.2
[M+K]+ 296.98614 158.5
[M+H-H2O]+ 241.02024 148.8
[M+HCOO]- 303.02118 171.3
[M+CH3COO]- 317.03683 196.7
[M+Na-2H]- 278.99765 157.0
[M]+ 258.02243 159.7
[M]- 258.02353 159.7
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.