CID 876082

423147-31-3

Structural Information

Molecular Formula
C9H8IN3
SMILES
C1=CC(=CC=C1C2=CC(=NN2)N)I
InChI
InChI=1S/C9H8IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey
DLALNTSJBUVVDM-UHFFFAOYSA-N
Compound name
5-(4-iodophenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

284.9763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.983576 144.6
[M+Na]+ 307.965518 146.6
[M-H]- 283.969024 140.5
[M+NH4]+ 303.010123 157.8
[M+K]+ 323.939458 148.0
[M+H-H2O]+ 267.973560 133.4
[M+HCOO]- 329.974501 162.4
[M+CH3COO]- 343.990151 153.1
[M+Na-2H]- 305.950966 138.0
[M]+ 284.97575142 138.7
[M]- 284.97684858 138.7
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