CID 10104456

2,3-difluoro-6-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C8H2F5N
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C#N)F)F
InChI
InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H
InChIKey
QODCSKFZMRDUMK-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

207.01074 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01802 130.2
[M+Na]+ 229.99996 142.6
[M-H]- 206.00346 128.3
[M+NH4]+ 225.04456 147.6
[M+K]+ 245.97390 139.1
[M+H-H2O]+ 190.00800 115.2
[M+HCOO]- 252.00894 145.3
[M+CH3COO]- 266.02459 198.4
[M+Na-2H]- 227.98541 134.5
[M]+ 207.01019 119.6
[M]- 207.01129 119.6
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

patents stripe