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]+ 199.95056 124.9
[M+Na]+ 221.93250 140.2
[M-H]- 197.93600 126.6
[M+NH4]+ 216.97710 144.4
[M+K]+ 237.90644 128.3
[M+H-H2O]+ 181.94054 118.4
[M+HCOO]- 243.94148 142.4
[M+CH3COO]- 257.95713 190.0
[M+Na-2H]- 219.91795 132.6
[M]+ 198.94273 135.4
[M]- 198.94383 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