CID 458375

(4-iodophenyl) thiocyanate

Structural Information

Molecular Formula
C7H4INS
SMILES
C1=CC(=CC=C1SC#N)I
InChI
InChI=1S/C7H4INS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H
InChIKey
CJFJEVAGDXZIHQ-UHFFFAOYSA-N
Compound name
(4-iodophenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.91092 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.91820 141.9
[M+Na]+ 283.90014 146.8
[M-H]- 259.90364 140.0
[M+NH4]+ 278.94474 157.2
[M+K]+ 299.87408 148.8
[M+H-H2O]+ 243.90818 127.4
[M+HCOO]- 305.90912 153.9
[M+CH3COO]- 319.92477 195.1
[M+Na-2H]- 281.88559 135.4
[M]+ 260.91037 136.5
[M]- 260.91147 136.5
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