CID 178200097

2,2,2-trifluoroethyl n-(1,3-benzoxazol-2-yl)carbamate

Structural Information

Molecular Formula
C10H7F3N2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H7F3N2O3/c11-10(12,13)5-17-9(16)15-8-14-6-3-1-2-4-7(6)18-8/h1-4H,5H2,(H,14,15,16)
InChIKey
LBDDAAOVUATPBM-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1,3-benzoxazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04086 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.048136 149.1
[M+Na]+ 283.030078 159.2
[M-H]- 259.033584 149.9
[M+NH4]+ 278.074683 166.0
[M+K]+ 299.004018 157.6
[M+H-H2O]+ 243.038120 140.2
[M+HCOO]- 305.039061 169.4
[M+CH3COO]- 319.054711 192.8
[M+Na-2H]- 281.015526 157.0
[M]+ 260.04031142 150.0
[M]- 260.04140858 150.0
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.