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]+ 144.025536 117.3
[M+Na]+ 166.007478 128.7
[M-H]- 142.010984 116.2
[M+NH4]+ 161.052083 135.4
[M+K]+ 181.981418 127.1
[M+H-H2O]+ 126.015520 103.6
[M+HCOO]- 188.016461 133.0
[M+CH3COO]- 202.032111 181.8
[M+Na-2H]- 163.992926 122.2
[M]+ 143.01771142 110.8
[M]- 143.01880858 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.