CID 82003808

2-(2,2-difluoroethoxy)-5-methanesulfonylaniline

Structural Information

Molecular Formula
C9H11F2NO3S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)OCC(F)F)N
InChI
InChI=1S/C9H11F2NO3S/c1-16(13,14)6-2-3-8(7(12)4-6)15-5-9(10)11/h2-4,9H,5,12H2,1H3
InChIKey
DLQRSXAXJGYNAK-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-5-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04277 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05005 152.7
[M+Na]+ 274.03199 160.8
[M+NH4]+ 269.07659 158.0
[M+K]+ 290.00593 155.4
[M-H]- 250.03549 150.3
[M+Na-2H]- 272.01744 155.5
[M]+ 251.04222 153.2
[M]- 251.04332 153.2
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.