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]+ 261.02522 150.0
[M+Na]+ 283.00716 161.2
[M-H]- 259.01066 150.1
[M+NH4]+ 278.05176 163.6
[M+K]+ 298.98110 157.3
[M+H-H2O]+ 243.01520 140.2
[M+HCOO]- 305.01614 163.0
[M+CH3COO]- 319.03179 189.1
[M+Na-2H]- 280.99261 152.9
[M]+ 260.01739 150.6
[M]- 260.01849 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.