CID 130981501

2-(4-bromo-5-fluoropyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
C1=C(N=CC(=C1Br)F)CC#N
InChI
InChI=1S/C7H4BrFN2/c8-6-3-5(1-2-10)11-4-7(6)9/h3-4H,1H2
InChIKey
VVAFBRWTFVUSHK-UHFFFAOYSA-N
Compound name
2-(4-bromo-5-fluoropyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.9542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96148 128.1
[M+Na]+ 236.94342 142.7
[M-H]- 212.94692 130.5
[M+NH4]+ 231.98802 147.1
[M+K]+ 252.91736 131.4
[M+H-H2O]+ 196.95146 120.4
[M+HCOO]- 258.95240 147.4
[M+CH3COO]- 272.96805 196.1
[M+Na-2H]- 234.92887 136.2
[M]+ 213.95365 139.3
[M]- 213.95475 139.3
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

No patent data available for this compound.