CID 3584968

[(3-chlorophenyl)amino]thiourea

Structural Information

Molecular Formula
C7H8ClN3S
SMILES
C1=CC(=CC(=C1)Cl)NNC(=S)N
InChI
InChI=1S/C7H8ClN3S/c8-5-2-1-3-6(4-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKey
NBFHOAYQGXDQDR-UHFFFAOYSA-N
Compound name
(3-chloroanilino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

201.01274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02002 139.0
[M+Na]+ 224.00196 146.5
[M-H]- 200.00546 142.4
[M+NH4]+ 219.04656 158.4
[M+K]+ 239.97590 141.2
[M+H-H2O]+ 184.01000 133.8
[M+HCOO]- 246.01094 155.6
[M+CH3COO]- 260.02659 187.5
[M+Na-2H]- 221.98741 142.7
[M]+ 201.01219 137.9
[M]- 201.01329 137.9
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