CID 18518842

(4-iodophenyl)methanethiol

Structural Information

Molecular Formula
C7H7IS
SMILES
C1=CC(=CC=C1CS)I
InChI
InChI=1S/C7H7IS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
OIMBYDFUXNAJSV-UHFFFAOYSA-N
Compound name
(4-iodophenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

249.93132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93860 134.5
[M+Na]+ 272.92054 140.7
[M+NH4]+ 267.96514 140.7
[M+K]+ 288.89448 134.8
[M-H]- 248.92404 131.9
[M+Na-2H]- 270.90599 129.7
[M]+ 249.93077 134.2
[M]- 249.93187 134.2
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