CID 146109635

2-methyl-1,3-benzoxazole-6-sulfonyl fluoride

Structural Information

Molecular Formula
C8H6FNO3S
SMILES
CC1=NC2=C(O1)C=C(C=C2)S(=O)(=O)F
InChI
InChI=1S/C8H6FNO3S/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3
InChIKey
ZLQALOOAGILHHU-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazole-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.012526 138.0
[M+Na]+ 237.994468 151.5
[M-H]- 213.997974 142.5
[M+NH4]+ 233.039073 158.2
[M+K]+ 253.968408 149.5
[M+H-H2O]+ 198.002510 132.5
[M+HCOO]- 260.003451 156.4
[M+CH3COO]- 274.019101 181.8
[M+Na-2H]- 235.979916 144.9
[M]+ 215.00470142 144.2
[M]- 215.00579858 144.2
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.