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 148.2
[M+Na]+ 274.03199 156.9
[M-H]- 250.03549 149.2
[M+NH4]+ 269.07659 165.4
[M+K]+ 290.00593 153.7
[M+H-H2O]+ 234.04003 140.5
[M+HCOO]- 296.04097 164.0
[M+CH3COO]- 310.05662 192.8
[M+Na-2H]- 272.01744 149.7
[M]+ 251.04222 148.7
[M]- 251.04332 148.7
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.