CID 23082060

648423-74-9

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
COC(=O)NC1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O2/c1-15-7(14)13-5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3,(H,13,14)
InChIKey
FJRMETKXKAGNEA-UHFFFAOYSA-N
Compound name
methyl N-[6-(trifluoromethyl)-3-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.04596 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053236 141.5
[M+Na]+ 243.035178 150.2
[M-H]- 219.038684 140.3
[M+NH4]+ 238.079783 158.4
[M+K]+ 259.009118 148.3
[M+H-H2O]+ 203.043220 132.4
[M+HCOO]- 265.044161 161.0
[M+CH3COO]- 279.059811 187.5
[M+Na-2H]- 241.020626 147.6
[M]+ 220.04541142 138.4
[M]- 220.04650858 138.4
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