CID 113207

Einecs 264-175-7

Structural Information

Molecular Formula
C13H10F3NO4
SMILES
CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO4/c1-2-20-12(19)17-7-3-4-8-9(13(14,15)16)6-11(18)21-10(8)5-7/h3-6H,2H2,1H3,(H,17,19)
InChIKey
VUJLMASTRUYUHD-UHFFFAOYSA-N
Compound name
ethyl N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05618 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06346 161.3
[M+Na]+ 324.04540 171.2
[M-H]- 300.04890 163.3
[M+NH4]+ 319.09000 176.3
[M+K]+ 340.01934 169.3
[M+H-H2O]+ 284.05344 152.2
[M+HCOO]- 346.05438 179.9
[M+CH3COO]- 360.07003 203.6
[M+Na-2H]- 322.03085 167.6
[M]+ 301.05563 162.0
[M]- 301.05673 162.0
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.