CID 676454

Phenylthiourea

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
FULZLIGZKMKICU-UHFFFAOYSA-N
Compound name
phenylthiourea
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1295
References

8363
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.8
[M+Na]+ 175.03004 135.7
[M-H]- 151.03354 132.2
[M+NH4]+ 170.07464 149.5
[M+K]+ 191.00398 132.4
[M+H-H2O]+ 135.03808 122.8
[M+HCOO]- 197.03902 149.1
[M+CH3COO]- 211.05467 177.4
[M+Na-2H]- 173.01549 133.2
[M]+ 152.04027 126.2
[M]- 152.04137 126.2
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