CID 165949942

2-(4-iodo-1h-pyrazol-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H8IN3O2S
SMILES
C1=CC=C(C(=C1)N2C=C(C=N2)I)S(=O)(=O)N
InChI
InChI=1S/C9H8IN3O2S/c10-7-5-12-13(6-7)8-3-1-2-4-9(8)16(11,14)15/h1-6H,(H2,11,14,15)
InChIKey
CYNWVKMZOQEGIC-UHFFFAOYSA-N
Compound name
2-(4-iodopyrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.9382 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.94548 161.1
[M+Na]+ 371.92742 164.5
[M-H]- 347.93092 158.8
[M+NH4]+ 366.97202 173.1
[M+K]+ 387.90136 166.2
[M+H-H2O]+ 331.93546 150.3
[M+HCOO]- 393.93640 174.6
[M+CH3COO]- 407.95205 196.4
[M+Na-2H]- 369.91287 152.5
[M]+ 348.93765 159.7
[M]- 348.93875 159.7
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

No patent data available for this compound.