CID 76962929

Unii-9w3c5338il

Structural Information

Molecular Formula
C11H9F5N4O3S
SMILES
C1=CC(=C(C(=C1)OCC(F)F)S(=O)(=O)NC2=NC=NN2)C(F)(F)F
InChI
InChI=1S/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)
InChIKey
JVICEKQGPNCKJV-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

372.03156 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.03884 172.1
[M+Na]+ 395.02078 181.3
[M-H]- 371.02428 168.1
[M+NH4]+ 390.06538 181.3
[M+K]+ 410.99472 175.8
[M+H-H2O]+ 355.02882 160.2
[M+HCOO]- 417.02976 180.4
[M+CH3COO]- 431.04541 208.9
[M+Na-2H]- 393.00623 173.5
[M]+ 372.03101 168.4
[M]- 372.03211 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.