CID 139026726

2361645-39-6

Structural Information

Molecular Formula
C8H6FN3O2S
SMILES
C1=CC(=CC=C1N2C=CN=N2)S(=O)(=O)F
InChI
InChI=1S/C8H6FN3O2S/c9-15(13,14)8-3-1-7(2-4-8)12-6-5-10-11-12/h1-6H
InChIKey
OBUFIAXYRJDNFB-UHFFFAOYSA-N
Compound name
4-(triazol-1-yl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.01648 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02376 144.3
[M+Na]+ 250.00570 155.9
[M-H]- 226.00920 147.0
[M+NH4]+ 245.05030 160.8
[M+K]+ 265.97964 152.2
[M+H-H2O]+ 210.01374 136.0
[M+HCOO]- 272.01468 160.7
[M+CH3COO]- 286.03033 182.6
[M+Na-2H]- 247.99115 148.7
[M]+ 227.01593 146.1
[M]- 227.01703 146.1
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.