CID 121246996

2362002-14-8

Structural Information

Molecular Formula
C7H8INOS
SMILES
CS(=N)(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C7H8INOS/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
HYBPWHHHMNWQIB-UHFFFAOYSA-N
Compound name
imino-(4-iodophenyl)-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.93713 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.94441 145.6
[M+Na]+ 303.92635 147.4
[M-H]- 279.92985 142.8
[M+NH4]+ 298.97095 161.2
[M+K]+ 319.90029 150.0
[M+H-H2O]+ 263.93439 136.5
[M+HCOO]- 325.93533 160.1
[M+CH3COO]- 339.95098 187.2
[M+Na-2H]- 301.91180 138.7
[M]+ 280.93658 143.3
[M]- 280.93768 143.3
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