CID 3831471

2,5-diiodobenzonitrile

Structural Information

Molecular Formula
C7H3I2N
SMILES
C1=CC(=C(C=C1I)C#N)I
InChI
InChI=1S/C7H3I2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey
SXOHPRPFFZRIJO-UHFFFAOYSA-N
Compound name
2,5-diiodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

354.83548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.84276 139.7
[M+Na]+ 377.82470 137.2
[M-H]- 353.82820 132.6
[M+NH4]+ 372.86930 149.2
[M+K]+ 393.79864 144.8
[M+H-H2O]+ 337.83274 124.3
[M+HCOO]- 399.83368 150.2
[M+CH3COO]- 413.84933 208.2
[M+Na-2H]- 375.81015 129.8
[M]+ 354.83493 131.6
[M]- 354.83603 131.6
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