CID 24721573

2-chloro-5-iodobenzonitrile

Structural Information

Molecular Formula
C7H3ClIN
SMILES
C1=CC(=C(C=C1I)C#N)Cl
InChI
InChI=1S/C7H3ClIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKey
RXNOBNYCCAEGJD-UHFFFAOYSA-N
Compound name
2-chloro-5-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

262.89987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90715 135.2
[M+Na]+ 285.88909 141.3
[M-H]- 261.89259 132.8
[M+NH4]+ 280.93369 150.8
[M+K]+ 301.86303 141.8
[M+H-H2O]+ 245.89713 121.8
[M+HCOO]- 307.89807 148.1
[M+CH3COO]- 321.91372 196.0
[M+Na-2H]- 283.87454 131.0
[M]+ 262.89932 129.9
[M]- 262.90042 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