CID 137935932

(e)-2,2,2-trifluoro-n-(pyridin-3-yl)ethanecarbonimidoyl chloride

Structural Information

Molecular Formula
C7H4ClF3N2
SMILES
C1=CC(=CN=C1)N=C(C(F)(F)F)Cl
InChI
InChI=1S/C7H4ClF3N2/c8-6(7(9,10)11)13-5-2-1-3-12-4-5/h1-4H
InChIKey
BVLVPAPJFUADHT-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-pyridin-3-ylethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.00879 135.2
[M+Na]+ 230.99073 144.6
[M-H]- 206.99423 135.0
[M+NH4]+ 226.03533 153.9
[M+K]+ 246.96467 140.8
[M+H-H2O]+ 190.99877 126.7
[M+HCOO]- 252.99971 151.5
[M+CH3COO]- 267.01536 186.4
[M+Na-2H]- 228.97618 142.6
[M]+ 208.00096 132.6
[M]- 208.00206 132.6
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

No patent data available for this compound.