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]+ 257.05031 152.9
[M+Na]+ 279.03225 164.1
[M-H]- 255.03575 154.1
[M+NH4]+ 274.07685 166.9
[M+K]+ 295.00619 159.9
[M+H-H2O]+ 239.04029 143.7
[M+HCOO]- 301.04123 167.7
[M+CH3COO]- 315.05688 188.5
[M+Na-2H]- 277.01770 156.8
[M]+ 256.04248 155.5
[M]- 256.04358 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.