CID 16659396

4-chloro-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H3ClIN
SMILES
C1=CC(=C(C=C1C#N)I)Cl
InChI
InChI=1S/C7H3ClIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
WUNSVSXKDMQXSB-UHFFFAOYSA-N
Compound name
4-chloro-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

262.89987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.907146 135.2
[M+Na]+ 285.889088 141.3
[M-H]- 261.892594 132.8
[M+NH4]+ 280.933693 150.8
[M+K]+ 301.863028 141.8
[M+H-H2O]+ 245.897130 121.8
[M+HCOO]- 307.898071 148.1
[M+CH3COO]- 321.913721 196.0
[M+Na-2H]- 283.874536 131.0
[M]+ 262.89932142 129.9
[M]- 262.90041858 129.9
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