CID 69569

4-nitrophenyl trifluoroacetate

Structural Information

Molecular Formula
C8H4F3NO4
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F
InChI
InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
InChIKey
JFOIBTLTZWOAIC-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

616
Patents

235.00925 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01653 139.8
[M+Na]+ 257.99847 148.0
[M-H]- 234.00197 140.1
[M+NH4]+ 253.04307 156.7
[M+K]+ 273.97241 142.7
[M+H-H2O]+ 218.00651 136.4
[M+HCOO]- 280.00745 160.9
[M+CH3COO]- 294.02310 181.6
[M+Na-2H]- 255.98392 147.2
[M]+ 235.00870 136.0
[M]- 235.00980 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe