CID 136576391

2-cyclopropyl-4-iodobenzonitrile

Structural Information

Molecular Formula
C10H8IN
SMILES
C1CC1C2=C(C=CC(=C2)I)C#N
InChI
InChI=1S/C10H8IN/c11-9-4-3-8(6-12)10(5-9)7-1-2-7/h3-5,7H,1-2H2
InChIKey
YYZWYSKPPNXFQV-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97743 137.5
[M+Na]+ 291.95937 147.4
[M-H]- 267.96287 140.0
[M+NH4]+ 287.00397 149.8
[M+K]+ 307.93331 145.6
[M+H-H2O]+ 251.96741 125.0
[M+HCOO]- 313.96835 155.7
[M+CH3COO]- 327.98400 201.6
[M+Na-2H]- 289.94482 134.9
[M]+ 268.96960 134.3
[M]- 268.97070 134.3
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

No patent data available for this compound.