CID 121602944

3-(4-iodophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H7IN2
SMILES
C1=CC(=CC=C1C2=CC=NN2)I
InChI
InChI=1S/C9H7IN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey
WPKJHQJJFLJCCT-UHFFFAOYSA-N
Compound name
5-(4-iodophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.9654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97268 137.0
[M+Na]+ 292.95462 138.9
[M-H]- 268.95812 132.9
[M+NH4]+ 287.99922 151.1
[M+K]+ 308.92856 140.9
[M+H-H2O]+ 252.96266 126.0
[M+HCOO]- 314.96360 154.5
[M+CH3COO]- 328.97925 146.1
[M+Na-2H]- 290.94007 131.9
[M]+ 269.96485 132.3
[M]- 269.96595 132.3
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

patents stripe