CID 80364478

4-iodo-1-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H8IN3
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)I)N
InChI
InChI=1S/C9H8IN3/c10-8-6-12-13(9(8)11)7-4-2-1-3-5-7/h1-6H,11H2
InChIKey
MDTHQDFYHPOPKA-UHFFFAOYSA-N
Compound name
4-iodo-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 285.98358 143.2
[M+Na]+ 307.96552 145.6
[M-H]- 283.96902 140.3
[M+NH4]+ 303.01012 157.1
[M+K]+ 323.93946 147.9
[M+H-H2O]+ 267.97356 131.7
[M+HCOO]- 329.97450 162.4
[M+CH3COO]- 343.99015 152.4
[M+Na-2H]- 305.95097 137.1
[M]+ 284.97575 139.0
[M]- 284.97685 139.0
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