CID 20026170

124276-77-3

Structural Information

Molecular Formula
C10H8IN
SMILES
C1CC1(C#N)C2=CC(=CC=C2)I
InChI
InChI=1S/C10H8IN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKey
TZZZZAVKHGHVBB-UHFFFAOYSA-N
Compound name
1-(3-iodophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.97015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97743 139.6
[M+Na]+ 291.95937 149.6
[M-H]- 267.96287 142.2
[M+NH4]+ 287.00397 153.2
[M+K]+ 307.93331 148.0
[M+H-H2O]+ 251.96741 127.8
[M+HCOO]- 313.96835 157.5
[M+CH3COO]- 327.98400 200.3
[M+Na-2H]- 289.94482 138.2
[M]+ 268.96960 136.4
[M]- 268.97070 136.4
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