CID 2736175

2,4-bis(trifluoromethyl)phenylacetonitrile

Structural Information

Molecular Formula
C10H5F6N
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CC#N
InChI
InChI=1S/C10H5F6N/c11-9(12,13)7-2-1-6(3-4-17)8(5-7)10(14,15)16/h1-2,5H,3H2
InChIKey
BJEJFFSIEUOCNS-UHFFFAOYSA-N
Compound name
2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

253.03262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03990 167.3
[M+Na]+ 276.02184 174.0
[M+NH4]+ 271.06644 167.7
[M+K]+ 291.99578 166.1
[M-H]- 252.02534 155.8
[M+Na-2H]- 274.00729 166.6
[M]+ 253.03207 164.3
[M]- 253.03317 164.3
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