CID 14972076

4-iodo-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C9H7IN2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)I
InChI
InChI=1S/C9H7IN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
InChIKey
PYJVDCYRDQUUKO-UHFFFAOYSA-N
Compound name
4-iodo-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

269.9654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.972676 135.4
[M+Na]+ 292.954618 137.8
[M-H]- 268.958124 132.6
[M+NH4]+ 287.999223 150.2
[M+K]+ 308.928558 140.6
[M+H-H2O]+ 252.962660 124.1
[M+HCOO]- 314.963601 154.3
[M+CH3COO]- 328.979251 145.2
[M+Na-2H]- 290.940066 130.9
[M]+ 269.96485142 132.5
[M]- 269.96594858 132.5
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