CID 82708756

1545570-06-6

Structural Information

Molecular Formula
C9H7BrF2N2
SMILES
C1=CC(=C(C=C1Br)C#N)NCC(F)F
InChI
InChI=1S/C9H7BrF2N2/c10-7-1-2-8(6(3-7)4-13)14-5-9(11)12/h1-3,9,14H,5H2
InChIKey
IXFUUXPSANRPOT-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,2-difluoroethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.97607 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98335 153.3
[M+Na]+ 282.96529 155.9
[M+NH4]+ 278.00989 154.3
[M+K]+ 298.93923 151.8
[M-H]- 258.96879 145.7
[M+Na-2H]- 280.95074 153.4
[M]+ 259.97552 149.7
[M]- 259.97662 149.7
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.