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

324
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

literature stripe

Patent stripe

patents stripe