CID 22287549

2,3,4,6-tetrafluorobenzonitrile

Structural Information

Molecular Formula
C7HF4N
SMILES
C1=C(C(=C(C(=C1F)F)F)C#N)F
InChI
InChI=1S/C7HF4N/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1H
InChIKey
XWDUWNUFQUWNNG-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrafluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

175.00452 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.011796 120.5
[M+Na]+ 197.993738 133.8
[M-H]- 173.997244 120.1
[M+NH4]+ 193.038343 139.3
[M+K]+ 213.967678 130.4
[M+H-H2O]+ 158.001780 106.4
[M+HCOO]- 220.002721 138.3
[M+CH3COO]- 234.018371 194.4
[M+Na-2H]- 195.979186 125.0
[M]+ 175.00397142 111.8
[M]- 175.00506858 111.8
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