CID 963388

18879-80-6

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

29
Patents

277.93747 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.944746 148.4
[M+Na]+ 300.926688 148.6
[M-H]- 276.930194 144.8
[M+NH4]+ 295.971293 163.4
[M+K]+ 316.900628 150.9
[M+H-H2O]+ 260.934730 138.5
[M+HCOO]- 322.935671 163.1
[M+CH3COO]- 336.951321 189.9
[M+Na-2H]- 298.912136 139.0
[M]+ 277.93692142 143.5
[M]- 277.93801858 143.5
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