CID 6902686

2,6-dichlorobenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H11Cl2N3S
SMILES
CCNC(=S)N/N=C/C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H11Cl2N3S/c1-2-13-10(16)15-14-6-7-8(11)4-3-5-9(7)12/h3-6H,2H2,1H3,(H2,13,15,16)/b14-6+
InChIKey
GHENJUXVBSVUSE-MKMNVTDBSA-N
Compound name
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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 159.4
[M+Na]+ 297.99429 167.4
[M-H]- 273.99779 163.9
[M+NH4]+ 293.03889 177.5
[M+K]+ 313.96823 160.9
[M+H-H2O]+ 258.00233 154.4
[M+HCOO]- 320.00327 172.2
[M+CH3COO]- 334.01892 202.9
[M+Na-2H]- 295.97974 161.3
[M]+ 275.00452 162.7
[M]- 275.00562 162.7
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.