CID 30329

20852-49-7

Structural Information

Molecular Formula
C10H8F3NO5
SMILES
CCOC(=O)OC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C10H8F3NO5/c1-2-18-9(15)19-8-4-3-6(10(11,12)13)5-7(8)14(16)17/h3-5H,2H2,1H3
InChIKey
PZTSFDBDXHHPJQ-UHFFFAOYSA-N
Compound name
ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.03546 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04274 152.1
[M+Na]+ 302.02468 160.3
[M-H]- 278.02818 152.5
[M+NH4]+ 297.06928 167.5
[M+K]+ 317.99862 155.1
[M+H-H2O]+ 262.03272 148.4
[M+HCOO]- 324.03366 172.8
[M+CH3COO]- 338.04931 190.3
[M+Na-2H]- 300.01013 158.1
[M]+ 279.03491 150.7
[M]- 279.03601 150.7
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.