CID 125454996

2060050-85-1

Structural Information

Molecular Formula
C9H10FNO3S
SMILES
CS(=NC1=CC(=C(C=C1)F)C(=O)O)(=O)C
InChI
InChI=1S/C9H10FNO3S/c1-15(2,14)11-6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
XIQZJVNVYOVQJG-UHFFFAOYSA-N
Compound name
5-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.03654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04382 148.8
[M+Na]+ 254.02576 158.5
[M+NH4]+ 249.07036 155.0
[M+K]+ 269.99970 152.5
[M-H]- 230.02926 147.9
[M+Na-2H]- 252.01121 152.8
[M]+ 231.03599 150.1
[M]- 231.03709 150.1
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.