CID 10149314

N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)
InChIKey
UQUQTWDUTIAAAY-UHFFFAOYSA-N
Compound name
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

197
Patents

270.0616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06888 147.9
[M+Na]+ 293.05082 163.7
[M-H]- 269.05432 153.6
[M+NH4]+ 288.09542 160.4
[M+K]+ 309.02476 158.2
[M+H-H2O]+ 253.05886 136.2
[M+HCOO]- 315.05980 165.3
[M+CH3COO]- 329.07545 210.6
[M+Na-2H]- 291.03627 155.2
[M]+ 270.06105 145.3
[M]- 270.06215 145.3
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