CID 2737285

175276-85-4

Structural Information

Molecular Formula
C9H11FN2O3S
SMILES
C1=CC(=CC=C1CS(=O)(=O)CC(=NO)N)F
InChI
InChI=1S/C9H11FN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKey
AVDGZDWBPJLTHN-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylsulfonyl]-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

246.04744 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05472 149.4
[M+Na]+ 269.03666 156.5
[M-H]- 245.04016 151.2
[M+NH4]+ 264.08126 166.0
[M+K]+ 285.01060 153.0
[M+H-H2O]+ 229.04470 141.9
[M+HCOO]- 291.04564 167.3
[M+CH3COO]- 305.06129 192.4
[M+Na-2H]- 267.02211 152.5
[M]+ 246.04689 148.9
[M]- 246.04799 148.9
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