CID 4385380

26192-69-8

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C15H14N2O3S/c18-21(19,20)14-8-6-13(7-9-14)17-11-10-15(16-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,20)
InChIKey
DUSPLQXMCZZRMJ-UHFFFAOYSA-N
Compound name
4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.079776 168.0
[M+Na]+ 325.061718 177.0
[M-H]- 301.065224 174.7
[M+NH4]+ 320.106323 181.7
[M+K]+ 341.035658 171.7
[M+H-H2O]+ 285.069760 160.1
[M+HCOO]- 347.070701 183.3
[M+CH3COO]- 361.086351 179.2
[M+Na-2H]- 323.047166 170.4
[M]+ 302.07195142 168.9
[M]- 302.07304858 168.9
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.