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-chloro-2-pyridinyl)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]+ 255.014266 145.8
[M+Na]+ 276.996208 155.2
[M-H]- 252.999714 144.5
[M+NH4]+ 272.040813 162.2
[M+K]+ 292.970148 151.4
[M+H-H2O]+ 237.004250 137.4
[M+HCOO]- 299.005191 160.9
[M+CH3COO]- 313.020841 191.3
[M+Na-2H]- 274.981656 151.6
[M]+ 254.00644142 144.9
[M]- 254.00753858 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.