CID 145913438

2377030-92-5

Structural Information

Molecular Formula
C8H12FNO3S
SMILES
CC(C)(C)C1=C(N=CO1)CS(=O)(=O)F
InChI
InChI=1S/C8H12FNO3S/c1-8(2,3)7-6(10-5-13-7)4-14(9,11)12/h5H,4H2,1-3H3
InChIKey
SLLFHBRWXJSXLZ-UHFFFAOYSA-N
Compound name
(5-tert-butyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05219 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05947 144.3
[M+Na]+ 244.04141 154.5
[M-H]- 220.04491 146.9
[M+NH4]+ 239.08601 162.9
[M+K]+ 260.01535 153.8
[M+H-H2O]+ 204.04945 138.7
[M+HCOO]- 266.05039 159.6
[M+CH3COO]- 280.06604 183.2
[M+Na-2H]- 242.02686 148.7
[M]+ 221.05164 148.8
[M]- 221.05274 148.8
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.