CID 3059534

2-oxazoline-4-methanol, 2-(dichloromethyl)-alpha-(p-nitrophenyl)-, d-threo-

Structural Information

Molecular Formula
C11H10Cl2N2O4
SMILES
C1[C@H](N=C(O1)C(Cl)Cl)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C11H10Cl2N2O4/c12-10(13)11-14-8(5-19-11)9(16)6-1-3-7(4-2-6)15(17)18/h1-4,8-10,16H,5H2/t8-,9+/m0/s1
InChIKey
IAZXBBCUBWEOCW-DTWKUNHWSA-N
Compound name
(R)-[(4S)-2-(dichloromethyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.00177 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.00905 163.9
[M+Na]+ 326.99099 169.9
[M-H]- 302.99449 167.6
[M+NH4]+ 322.03559 177.1
[M+K]+ 342.96493 162.8
[M+H-H2O]+ 286.99903 162.6
[M+HCOO]- 348.99997 174.4
[M+CH3COO]- 363.01562 191.1
[M+Na-2H]- 324.97644 166.6
[M]+ 304.00122 164.7
[M]- 304.00232 164.7
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

No patent data available for this compound.