CID 22064329

2-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C10H6ClF3N2O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCl
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-16-9(17-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2
InChIKey
VZGBTQRFBSMTTA-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.0121 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01938 149.4
[M+Na]+ 285.00132 160.9
[M-H]- 261.00482 150.7
[M+NH4]+ 280.04592 164.9
[M+K]+ 300.97526 156.6
[M+H-H2O]+ 245.00936 139.6
[M+HCOO]- 307.01030 163.0
[M+CH3COO]- 321.02595 191.2
[M+Na-2H]- 282.98677 154.6
[M]+ 262.01155 149.7
[M]- 262.01265 149.7
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

patents stripe