CID 10058869

2,2,2-trifluoro-n-phenylacetimidoyl chloride

Structural Information

Molecular Formula
C8H5ClF3N
SMILES
C1=CC=C(C=C1)N=C(C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H
InChIKey
UKKALSJSKAHGTL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-phenylethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

207.00626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01354 135.8
[M+Na]+ 229.99548 144.8
[M-H]- 205.99898 136.9
[M+NH4]+ 225.04008 155.9
[M+K]+ 245.96942 140.9
[M+H-H2O]+ 190.00352 128.3
[M+HCOO]- 252.00446 153.2
[M+CH3COO]- 266.02011 186.8
[M+Na-2H]- 227.98093 142.5
[M]+ 207.00571 133.1
[M]- 207.00681 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe