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]+ 259.030256 154.7
[M+Na]+ 281.012198 162.1
[M-H]- 257.015704 160.0
[M+NH4]+ 276.056803 173.2
[M+K]+ 296.986138 158.5
[M+H-H2O]+ 241.020240 148.8
[M+HCOO]- 303.021181 171.3
[M+CH3COO]- 317.036831 196.7
[M+Na-2H]- 278.997646 157.0
[M]+ 258.02243142 159.7
[M]- 258.02352858 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.