CID 963388

1-(4-iodophenyl)-2-thiourea

Structural Information

Molecular Formula
C7H7IN2S
SMILES
C1=CC(=CC=C1NC(=S)N)I
InChI
InChI=1S/C7H7IN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
USIFVFMNOLGPNL-UHFFFAOYSA-N
Compound name
(4-iodophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

277.93747 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.94475 147.2
[M+Na]+ 300.92669 150.1
[M+NH4]+ 295.97129 151.6
[M+K]+ 316.90063 145.6
[M-H]- 276.93019 144.1
[M+Na-2H]- 298.91214 140.5
[M]+ 277.93692 145.9
[M]- 277.93802 145.9
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