CID 39871448

2,2,2-trifluoroethyl n-(5-chloropyridin-2-yl)carbamate

Structural Information

Molecular Formula
C8H6ClF3N2O2
SMILES
C1=CC(=NC=C1Cl)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H6ClF3N2O2/c9-5-1-2-6(13-3-5)14-7(15)16-4-8(10,11)12/h1-3H,4H2,(H,13,14,15)
InChIKey
PVZNGDSAWRGOII-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(5-chloropyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00699 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01427 145.8
[M+Na]+ 276.99621 155.2
[M-H]- 252.99971 144.5
[M+NH4]+ 272.04081 162.2
[M+K]+ 292.97015 151.4
[M+H-H2O]+ 237.00425 137.4
[M+HCOO]- 299.00519 160.9
[M+CH3COO]- 313.02084 191.3
[M+Na-2H]- 274.98166 151.6
[M]+ 254.00644 144.9
[M]- 254.00754 144.9
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.