CID 69356

Iodoacetonitrile

Structural Information

Molecular Formula
C2H2IN
SMILES
C(C#N)I
InChI
InChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKey
VODKOOOHHCAWFR-UHFFFAOYSA-N
Compound name
2-iodoacetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2416
Patents

166.9232 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.93048 115.1
[M+Na]+ 189.91242 119.0
[M-H]- 165.91592 110.6
[M+NH4]+ 184.95702 133.0
[M+K]+ 205.88636 124.2
[M+H-H2O]+ 149.92046 102.1
[M+HCOO]- 211.92140 131.9
[M+CH3COO]- 225.93705 182.4
[M+Na-2H]- 187.89787 112.6
[M]+ 166.92265 108.3
[M]- 166.92375 108.3
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