CID 145874286

2375260-49-2

Structural Information

Molecular Formula
C9H12F2N2O3
SMILES
CC(C)(C)OC(=O)NC1=COC(=N1)C(F)F
InChI
InChI=1S/C9H12F2N2O3/c1-9(2,3)16-8(14)13-5-4-15-7(12-5)6(10)11/h4,6H,1-3H3,(H,13,14)
InChIKey
SRVWFNCSXHEALH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(difluoromethyl)-1,3-oxazol-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0816 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08888 148.4
[M+Na]+ 257.07082 156.1
[M-H]- 233.07432 149.2
[M+NH4]+ 252.11542 165.3
[M+K]+ 273.04476 156.6
[M+H-H2O]+ 217.07886 140.6
[M+HCOO]- 279.07980 167.7
[M+CH3COO]- 293.09545 190.7
[M+Na-2H]- 255.05627 152.2
[M]+ 234.08105 149.0
[M]- 234.08215 149.0
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.