CID 3067344

2h-indazole, 2-(4-iodophenyl)-

Structural Information

Molecular Formula
C13H9IN2
SMILES
C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)I
InChI
InChI=1S/C13H9IN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H
InChIKey
OLPARULXFXIQHB-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.98105 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.98833 145.4
[M+Na]+ 342.97027 149.4
[M-H]- 318.97377 143.7
[M+NH4]+ 338.01487 159.5
[M+K]+ 358.94421 150.2
[M+H-H2O]+ 302.97831 133.7
[M+HCOO]- 364.97925 164.3
[M+CH3COO]- 378.99490 155.1
[M+Na-2H]- 340.95572 142.3
[M]+ 319.98050 144.3
[M]- 319.98160 144.3
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