CID 4685264

1-anilino-3-(4-chlorophenyl)thiourea

Structural Information

Molecular Formula
C13H12ClN3S
SMILES
C1=CC=C(C=C1)NNC(=S)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3S/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18)
InChIKey
HMXMVJBDDXZYBL-UHFFFAOYSA-N
Compound name
1-anilino-3-(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.04404 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05132 160.1
[M+Na]+ 300.03326 172.7
[M+NH4]+ 295.07786 169.5
[M+K]+ 316.00720 162.4
[M-H]- 276.03676 166.6
[M+Na-2H]- 298.01871 169.8
[M]+ 277.04349 164.4
[M]- 277.04459 164.4
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

patents stripe