CID 165731686

5-bromo-2-ethynyl-3-fluoropyridine

Structural Information

Molecular Formula
C7H3BrFN
SMILES
C#CC1=C(C=C(C=N1)Br)F
InChI
InChI=1S/C7H3BrFN/c1-2-7-6(9)3-5(8)4-10-7/h1,3-4H
InChIKey
SKWSVOGEFMKYEH-UHFFFAOYSA-N
Compound name
5-bromo-2-ethynyl-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.94328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.950556 124.9
[M+Na]+ 221.932498 140.2
[M-H]- 197.936004 126.6
[M+NH4]+ 216.977103 144.4
[M+K]+ 237.906438 128.3
[M+H-H2O]+ 181.940540 118.4
[M+HCOO]- 243.941481 142.4
[M+CH3COO]- 257.957131 190.0
[M+Na-2H]- 219.917946 132.6
[M]+ 198.94273142 135.4
[M]- 198.94382858 135.4
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