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
6
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]+ 373.038836 172.1
[M+Na]+ 395.020778 181.3
[M-H]- 371.024284 168.1
[M+NH4]+ 390.065383 181.3
[M+K]+ 410.994718 175.8
[M+H-H2O]+ 355.028820 160.2
[M+HCOO]- 417.029761 180.4
[M+CH3COO]- 431.045411 208.9
[M+Na-2H]- 393.006226 173.5
[M]+ 372.03101142 168.4
[M]- 372.03210858 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.