CID 146075347

2137836-38-3

Structural Information

Molecular Formula
C9H8FNO3S
SMILES
CCC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)F
InChI
InChI=1S/C9H8FNO3S/c1-2-9-11-7-5-6(15(10,12)13)3-4-8(7)14-9/h3-5H,2H2,1H3
InChIKey
OYYHPXUOPUFSQO-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-benzoxazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.02089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02817 142.7
[M+Na]+ 252.01011 155.8
[M-H]- 228.01361 147.0
[M+NH4]+ 247.05471 162.4
[M+K]+ 267.98405 153.6
[M+H-H2O]+ 212.01815 137.0
[M+HCOO]- 274.01909 160.8
[M+CH3COO]- 288.03474 184.8
[M+Na-2H]- 249.99556 149.1
[M]+ 229.02034 149.3
[M]- 229.02144 149.3
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.