CID 717704

4-(2-chlorophenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C7H8ClN3S
SMILES
C1=CC=C(C(=C1)NC(=S)NN)Cl
InChI
InChI=1S/C7H8ClN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
OLLXBDOYXPALCA-UHFFFAOYSA-N
Compound name
1-amino-3-(2-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

13
Patents

201.01274 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02002 139.8
[M+Na]+ 224.00196 150.2
[M+NH4]+ 219.04656 148.7
[M+K]+ 239.97590 142.1
[M-H]- 200.00546 143.5
[M+Na-2H]- 221.98741 146.2
[M]+ 201.01219 142.8
[M]- 201.01329 142.8
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

patents stripe