CID 58971

101832-10-4

Structural Information

Molecular Formula
C10H5F3N2O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C(F)(F)F
InChI
InChI=1S/C10H5F3N2O3/c11-10(12,13)9(16)7-4-14-8-2-1-5(15(17)18)3-6(7)8/h1-4,14H
InChIKey
PUZBKXUISZMSFP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

258.02524 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03252 145.7
[M+Na]+ 281.01446 155.3
[M-H]- 257.01796 144.9
[M+NH4]+ 276.05906 162.6
[M+K]+ 296.98840 147.3
[M+H-H2O]+ 241.02250 142.2
[M+HCOO]- 303.02344 165.0
[M+CH3COO]- 317.03909 184.5
[M+Na-2H]- 278.99991 153.3
[M]+ 258.02469 141.2
[M]- 258.02579 141.2
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