CID 131335399

2-bromo-6-fluoro-3-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C8H2BrF4N
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Br)C#N)F
InChI
InChI=1S/C8H2BrF4N/c9-7-4(3-14)6(10)2-1-5(7)8(11,12)13/h1-2H
InChIKey
MGYPGCILKULCQG-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-3-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.93066 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.93794 141.8
[M+Na]+ 289.91988 157.1
[M-H]- 265.92338 142.5
[M+NH4]+ 284.96448 160.2
[M+K]+ 305.89382 145.0
[M+H-H2O]+ 249.92792 132.9
[M+HCOO]- 311.92886 157.9
[M+CH3COO]- 325.94451 204.2
[M+Na-2H]- 287.90533 147.0
[M]+ 266.93011 149.2
[M]- 266.93121 149.2
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

No patent data available for this compound.