CID 9610001

2,3-dichlorobenzaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C15H13Cl2N3S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3S/c1-10-4-2-6-12(8-10)19-15(21)20-18-9-11-5-3-7-13(16)14(11)17/h2-9H,1H3,(H2,19,20,21)/b18-9+
InChIKey
DBKYHODXFYXXPK-GIJQJNRQSA-N
Compound name
1-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.02072 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02800 175.6
[M+Na]+ 360.00994 184.0
[M-H]- 336.01344 183.2
[M+NH4]+ 355.05454 191.3
[M+K]+ 375.98388 176.0
[M+H-H2O]+ 320.01798 169.3
[M+HCOO]- 382.01892 188.5
[M+CH3COO]- 396.03457 214.4
[M+Na-2H]- 357.99539 177.4
[M]+ 337.02017 179.3
[M]- 337.02127 179.3
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.