CID 142866

4-iodophenylacetonitrile

Structural Information

Molecular Formula
C8H6IN
SMILES
C1=CC(=CC=C1CC#N)I
InChI
InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey
PNXWQTYSBFGIFD-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

242.9545 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96178 136.8
[M+Na]+ 265.94372 143.0
[M+NH4]+ 260.98832 139.1
[M+K]+ 281.91766 136.1
[M-H]- 241.94722 127.4
[M+Na-2H]- 263.92917 131.1
[M]+ 242.95395 133.4
[M]- 242.95505 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe