CID 109843

68227-68-9

Structural Information

Molecular Formula
C10H10ClN3O3S
SMILES
CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)O)Cl
InChI
InChI=1S/C10H10ClN3O3S/c1-6-4-10(12)14(13-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-5H,12H2,1H3,(H,15,16,17)
InChIKey
LVSMGNXVKQOJGO-UHFFFAOYSA-N
Compound name
3-(5-amino-3-methylpyrazol-1-yl)-4-chlorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

287.01315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02043 161.9
[M+Na]+ 310.00237 173.9
[M+NH4]+ 305.04697 168.2
[M+K]+ 325.97631 169.3
[M-H]- 286.00587 162.9
[M+Na-2H]- 307.98782 166.9
[M]+ 287.01260 164.4
[M]- 287.01370 164.4
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