CID 138040846

N-(4-azidophenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C8H5F3N4O
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C8H5F3N4O/c9-8(10,11)7(16)13-5-1-3-6(4-2-5)14-15-12/h1-4H,(H,13,16)
InChIKey
AZKQWQIYDMWXPH-UHFFFAOYSA-N
Compound name
N-(4-azidophenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04155 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.048826 139.2
[M+Na]+ 253.030768 146.4
[M-H]- 229.034274 141.9
[M+NH4]+ 248.075373 156.8
[M+K]+ 269.004708 139.9
[M+H-H2O]+ 213.038810 134.4
[M+HCOO]- 275.039751 166.6
[M+CH3COO]- 289.055401 193.0
[M+Na-2H]- 251.016216 149.2
[M]+ 230.04100142 132.3
[M]- 230.04209858 132.3
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.