CID 69554

653-30-5

Structural Information

Molecular Formula
C8H2F5N
SMILES
C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2
InChIKey
YDNOJUAQBFXZCR-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1482
Patents

207.01074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01802 125.2
[M+Na]+ 229.99996 138.8
[M-H]- 206.00346 123.7
[M+NH4]+ 225.04456 142.9
[M+K]+ 245.97390 135.0
[M+H-H2O]+ 190.00800 110.2
[M+HCOO]- 252.00894 141.8
[M+CH3COO]- 266.02459 200.8
[M+Na-2H]- 227.98541 128.1
[M]+ 207.01019 116.0
[M]- 207.01129 116.0
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