CID 130136042

2-(5-bromopyridin-2-yl)-2,2-difluoroacetonitrile

Structural Information

Molecular Formula
C7H3BrF2N2
SMILES
C1=CC(=NC=C1Br)C(C#N)(F)F
InChI
InChI=1S/C7H3BrF2N2/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H
InChIKey
GGSKFUAEKGVCNC-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)-2,2-difluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94476 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95204 135.2
[M+Na]+ 254.93398 149.3
[M-H]- 230.93748 136.4
[M+NH4]+ 249.97858 153.3
[M+K]+ 270.90792 138.0
[M+H-H2O]+ 214.94202 126.9
[M+HCOO]- 276.94296 152.2
[M+CH3COO]- 290.95861 197.8
[M+Na-2H]- 252.91943 143.4
[M]+ 231.94421 144.5
[M]- 231.94531 144.5
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

No patent data available for this compound.