CID 72694819

E2730

Structural Information

Molecular Formula
C9H8F4N2O2S
SMILES
C1C2=C([C@@H](C1(F)F)NS(=O)(=O)N)C(=CC(=C2)F)F
InChI
InChI=1S/C9H8F4N2O2S/c10-5-1-4-3-9(12,13)8(15-18(14,16)17)7(4)6(11)2-5/h1-2,8,15H,3H2,(H2,14,16,17)/t8-/m0/s1
InChIKey
ZDUAYVUFBARRPR-QMMMGPOBSA-N
Compound name
(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

284.02426 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03154 149.4
[M+Na]+ 307.01348 160.8
[M-H]- 283.01698 149.1
[M+NH4]+ 302.05808 170.2
[M+K]+ 322.98742 155.9
[M+H-H2O]+ 267.02152 142.1
[M+HCOO]- 329.02246 164.0
[M+CH3COO]- 343.03811 200.2
[M+Na-2H]- 304.99893 152.5
[M]+ 284.02371 145.9
[M]- 284.02481 145.9
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

patents stripe