CID 3350460

N-2-pyridinylperfluorobutanamide

Structural Information

Molecular Formula
C9H5F7N2O
SMILES
C1=CC=NC(=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F7N2O/c10-7(11,8(12,13)9(14,15)16)6(19)18-5-3-1-2-4-17-5/h1-4H,(H,17,18,19)
InChIKey
PDIASJVTCFSDDH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

290.02902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03630 153.6
[M+Na]+ 313.01824 161.9
[M-H]- 289.02174 147.1
[M+NH4]+ 308.06284 166.9
[M+K]+ 328.99218 158.4
[M+H-H2O]+ 273.02628 141.6
[M+HCOO]- 335.02722 164.9
[M+CH3COO]- 349.04287 200.5
[M+Na-2H]- 311.00369 159.1
[M]+ 290.02847 142.6
[M]- 290.02957 142.6
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