CID 9693694

2,3-dichlorobenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H11Cl2N3S
SMILES
CCNC(=S)N/N=C/C1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2N3S/c1-2-13-10(16)15-14-6-7-4-3-5-8(11)9(7)12/h3-6H,2H2,1H3,(H2,13,15,16)/b14-6+
InChIKey
BHMVTTJPRHWWBG-MKMNVTDBSA-N
Compound name
1-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00507 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01235 160.7
[M+Na]+ 297.99429 172.2
[M+NH4]+ 293.03889 169.3
[M+K]+ 313.96823 162.2
[M-H]- 273.99779 164.5
[M+Na-2H]- 295.97974 166.8
[M]+ 275.00452 164.3
[M]- 275.00562 164.3
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.