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

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 148.4
[M+Na]+ 300.92669 148.6
[M-H]- 276.93019 144.8
[M+NH4]+ 295.97129 163.4
[M+K]+ 316.90063 150.9
[M+H-H2O]+ 260.93473 138.5
[M+HCOO]- 322.93567 163.1
[M+CH3COO]- 336.95132 189.9
[M+Na-2H]- 298.91214 139.0
[M]+ 277.93692 143.5
[M]- 277.93802 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