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]+ 216.01253 138.0
[M+Na]+ 237.99447 151.5
[M-H]- 213.99797 142.5
[M+NH4]+ 233.03907 158.2
[M+K]+ 253.96841 149.5
[M+H-H2O]+ 198.00251 132.5
[M+HCOO]- 260.00345 156.4
[M+CH3COO]- 274.01910 181.8
[M+Na-2H]- 235.97992 144.9
[M]+ 215.00470 144.2
[M]- 215.00580 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.