CID 209181

19420-37-2

Structural Information

Molecular Formula
C10H10FNO2S
SMILES
CSCCN1C2=C(C=CC(=C2)F)OC1=O
InChI
InChI=1S/C10H10FNO2S/c1-15-5-4-12-8-6-7(11)2-3-9(8)14-10(12)13/h2-3,6H,4-5H2,1H3
InChIKey
HNNGEOOMYNAEGA-UHFFFAOYSA-N
Compound name
5-fluoro-3-(2-methylsulfanylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04163 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04891 142.6
[M+Na]+ 250.03085 155.7
[M-H]- 226.03435 146.8
[M+NH4]+ 245.07545 162.7
[M+K]+ 266.00479 152.8
[M+H-H2O]+ 210.03889 136.4
[M+HCOO]- 272.03983 161.4
[M+CH3COO]- 286.05548 187.2
[M+Na-2H]- 248.01630 146.8
[M]+ 227.04108 149.7
[M]- 227.04218 149.7
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.