CID 165459304

1-(4-fluorophenyl)-1h-1,2,3-triazole-4-sulfonyl fluoride

Structural Information

Molecular Formula
C8H5F2N3O2S
SMILES
C1=CC(=CC=C1N2C=C(N=N2)S(=O)(=O)F)F
InChI
InChI=1S/C8H5F2N3O2S/c9-6-1-3-7(4-2-6)13-5-8(11-12-13)16(10,14)15/h1-5H
InChIKey
HADHKHDJRHJNIL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)triazole-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00705 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01433 146.2
[M+Na]+ 267.99627 158.7
[M-H]- 243.99977 147.9
[M+NH4]+ 263.04087 162.2
[M+K]+ 283.97021 154.4
[M+H-H2O]+ 228.00431 137.2
[M+HCOO]- 290.00525 161.6
[M+CH3COO]- 304.02090 186.4
[M+Na-2H]- 265.98172 149.5
[M]+ 245.00650 147.4
[M]- 245.00760 147.4
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.