CID 9554697

Nsc640286

Structural Information

Molecular Formula
C14H13ClN2O2S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC
InChI
InChI=1S/C14H13ClN2O2S/c1-9-12(5-6-19-9)14(20)17-11-3-4-13(15)10(7-11)8-16-18-2/h3-8H,1-2H3,(H,17,20)/b16-8+
InChIKey
QCULSUVHFJNPFU-LZYBPNLTSA-N
Compound name
N-[4-chloro-3-[(E)-methoxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.03864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04592 171.8
[M+Na]+ 331.02786 181.2
[M-H]- 307.03136 181.4
[M+NH4]+ 326.07246 189.1
[M+K]+ 347.00180 176.8
[M+H-H2O]+ 291.03590 165.5
[M+HCOO]- 353.03684 189.6
[M+CH3COO]- 367.05249 207.1
[M+Na-2H]- 329.01331 172.7
[M]+ 308.03809 178.8
[M]- 308.03919 178.8
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.