CID 2776998

2,3,5-trifluorobenzonitrile

Structural Information

Molecular Formula
C7H2F3N
SMILES
C1=C(C=C(C(=C1C#N)F)F)F
InChI
InChI=1S/C7H2F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKey
MMPKVFQMDMBXSG-UHFFFAOYSA-N
Compound name
2,3,5-trifluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

157.01393 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02121 134.1
[M+Na]+ 180.00315 145.7
[M+NH4]+ 175.04775 137.9
[M+K]+ 195.97709 135.9
[M-H]- 156.00665 125.5
[M+Na-2H]- 177.98860 137.1
[M]+ 157.01338 132.5
[M]- 157.01448 132.5
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