CID 136543123

3-[2-(1-phenyl-1h-pyrazol-3-yl)acetamido]benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C17H14FN3O3S
SMILES
C1=CC=C(C=C1)N2C=CC(=N2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)F
InChI
InChI=1S/C17H14FN3O3S/c18-25(23,24)16-8-4-5-13(11-16)19-17(22)12-14-9-10-21(20-14)15-6-2-1-3-7-15/h1-11H,12H2,(H,19,22)
InChIKey
ZXPDQXSGBFEMPP-UHFFFAOYSA-N
Compound name
3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.074 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08128 180.8
[M+Na]+ 382.06322 189.3
[M-H]- 358.06672 187.5
[M+NH4]+ 377.10782 192.3
[M+K]+ 398.03716 183.6
[M+H-H2O]+ 342.07126 170.9
[M+HCOO]- 404.07220 197.3
[M+CH3COO]- 418.08785 210.1
[M+Na-2H]- 380.04867 182.9
[M]+ 359.07345 182.4
[M]- 359.07455 182.4
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

No patent data available for this compound.