CID 43810676

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C10H7ClFNO3S
SMILES
C1=CC(=CC=C1C2=NOC(=C2)CS(=O)(=O)Cl)F
InChI
InChI=1S/C10H7ClFNO3S/c11-17(14,15)6-9-5-10(13-16-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKey
YRFXJTPAQIOFIG-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.98193 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98921 153.5
[M+Na]+ 297.97115 165.6
[M-H]- 273.97465 159.8
[M+NH4]+ 293.01575 170.7
[M+K]+ 313.94509 161.7
[M+H-H2O]+ 257.97919 147.3
[M+HCOO]- 319.98013 166.7
[M+CH3COO]- 333.99578 190.0
[M+Na-2H]- 295.95660 157.1
[M]+ 274.98138 159.4
[M]- 274.98248 159.4
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.