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]+ 231.04883 139.2
[M+Na]+ 253.03077 146.4
[M-H]- 229.03427 141.9
[M+NH4]+ 248.07537 156.8
[M+K]+ 269.00471 139.9
[M+H-H2O]+ 213.03881 134.4
[M+HCOO]- 275.03975 166.6
[M+CH3COO]- 289.05540 193.0
[M+Na-2H]- 251.01622 149.2
[M]+ 230.04100 132.3
[M]- 230.04210 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.