CID 138040752

5-difluoromethanesulfonyl-1-phenyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H6F2N4O2S
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)C(F)F
InChI
InChI=1S/C8H6F2N4O2S/c9-7(10)17(15,16)8-11-12-13-14(8)6-4-2-1-3-5-6/h1-5,7H
InChIKey
WNLSBPHEZWSKQL-UHFFFAOYSA-N
Compound name
5-(difluoromethylsulfonyl)-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01794 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.025216 150.0
[M+Na]+ 283.007158 161.2
[M-H]- 259.010664 150.1
[M+NH4]+ 278.051763 163.6
[M+K]+ 298.981098 157.3
[M+H-H2O]+ 243.015200 140.2
[M+HCOO]- 305.016141 163.0
[M+CH3COO]- 319.031791 189.1
[M+Na-2H]- 280.992606 152.9
[M]+ 260.01739142 150.6
[M]- 260.01848858 150.6
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.