CID 83680504

1781577-99-8

Structural Information

Molecular Formula
C10H12F3NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(O1)C(F)(F)F
InChI
InChI=1S/C10H12F3NO3/c1-9(2,3)17-8(15)14-7-5-4-6(16-7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKey
PRJUVJAFEABIRF-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.07693 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08421 150.5
[M+Na]+ 274.06615 158.6
[M-H]- 250.06965 151.4
[M+NH4]+ 269.11075 168.2
[M+K]+ 290.04009 158.6
[M+H-H2O]+ 234.07419 143.3
[M+HCOO]- 296.07513 169.2
[M+CH3COO]- 310.09078 192.8
[M+Na-2H]- 272.05160 155.6
[M]+ 251.07638 149.7
[M]- 251.07748 149.7
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

patents stripe