CID 75972

Fluorescent brightener 121

Structural Information

Molecular Formula
C15H14ClN3O2S
SMILES
C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H14ClN3O2S/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)13-5-7-14(8-6-13)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)
InChIKey
VZTHUHAJEZPWNC-UHFFFAOYSA-N
Compound name
4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

402
Patents

335.04953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05681 175.7
[M+Na]+ 358.03875 185.9
[M-H]- 334.04225 183.4
[M+NH4]+ 353.08335 189.5
[M+K]+ 374.01269 179.0
[M+H-H2O]+ 318.04679 167.9
[M+HCOO]- 380.04773 187.9
[M+CH3COO]- 394.06338 186.8
[M+Na-2H]- 356.02420 177.0
[M]+ 335.04898 177.9
[M]- 335.05008 177.9
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.