CID 54939379

4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide

Structural Information

Molecular Formula
C12H11F2NO3S
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)N)OCC(F)F
InChI
InChI=1S/C12H11F2NO3S/c13-12(14)7-18-10-5-6-11(19(15,16)17)9-4-2-1-3-8(9)10/h1-6,12H,7H2,(H2,15,16,17)
InChIKey
FABIPIDDQIBYHK-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0428 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05008 157.1
[M+Na]+ 310.03202 165.9
[M-H]- 286.03552 158.7
[M+NH4]+ 305.07662 173.7
[M+K]+ 326.00596 161.7
[M+H-H2O]+ 270.04006 149.1
[M+HCOO]- 332.04100 171.9
[M+CH3COO]- 346.05665 199.4
[M+Na-2H]- 308.01747 160.9
[M]+ 287.04225 157.8
[M]- 287.04335 157.8
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.