CID 10131191

127000-90-2

Structural Information

Molecular Formula
C12H11F2N3O
SMILES
C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
InChIKey
QANJLSHZDUOBBP-QPUJVOFHSA-N
Compound name
1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

251.08702 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09430 161.5
[M+Na]+ 274.07624 174.8
[M+NH4]+ 269.12084 169.3
[M+K]+ 290.05018 170.1
[M-H]- 250.07974 169.6
[M+Na-2H]- 272.06169 171.0
[M]+ 251.08647 166.8
[M]- 251.08757 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe