CID 146050177

5-(difluoromethyl)-4-ethynyl-1,3-oxazole

Structural Information

Molecular Formula
C6H3F2NO
SMILES
C#CC1=C(OC=N1)C(F)F
InChI
InChI=1S/C6H3F2NO/c1-2-4-5(6(7)8)10-3-9-4/h1,3,6H
InChIKey
ZDFIMSKXXHJICJ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-4-ethynyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.01826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02554 117.3
[M+Na]+ 166.00748 128.7
[M-H]- 142.01098 116.2
[M+NH4]+ 161.05208 135.4
[M+K]+ 181.98142 127.1
[M+H-H2O]+ 126.01552 103.6
[M+HCOO]- 188.01646 133.0
[M+CH3COO]- 202.03211 181.8
[M+Na-2H]- 163.99293 122.2
[M]+ 143.01771 110.8
[M]- 143.01881 110.8
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.