CID 16227082

2-(5-phenyl-2h-1,2,3,4-tetrazol-2-yl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C9H9FN4O2S
SMILES
C1=CC=C(C=C1)C2=NN(N=N2)CCS(=O)(=O)F
InChI
InChI=1S/C9H9FN4O2S/c10-17(15,16)7-6-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JHXUJHKVPSNZAO-UHFFFAOYSA-N
Compound name
2-(5-phenyltetrazol-2-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.04303 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.050306 152.9
[M+Na]+ 279.032248 164.1
[M-H]- 255.035754 154.1
[M+NH4]+ 274.076853 166.9
[M+K]+ 295.006188 159.9
[M+H-H2O]+ 239.040290 143.7
[M+HCOO]- 301.041231 167.7
[M+CH3COO]- 315.056881 188.5
[M+Na-2H]- 277.017696 156.8
[M]+ 256.04248142 155.5
[M]- 256.04357858 155.5
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.