CID 53429187

3-bromo-4-(chloromethyl)-5-fluoropyridine

Structural Information

Molecular Formula
C6H4BrClFN
SMILES
C1=C(C(=C(C=N1)Br)CCl)F
InChI
InChI=1S/C6H4BrClFN/c7-5-2-10-3-6(9)4(5)1-8/h2-3H,1H2
InChIKey
ADGHVVFPSJRQBB-UHFFFAOYSA-N
Compound name
3-bromo-4-(chloromethyl)-5-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.91997 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.927246 131.2
[M+Na]+ 245.909188 145.9
[M-H]- 221.912694 135.5
[M+NH4]+ 240.953793 153.3
[M+K]+ 261.883128 133.2
[M+H-H2O]+ 205.917230 131.5
[M+HCOO]- 267.918171 147.6
[M+CH3COO]- 281.933821 184.3
[M+Na-2H]- 243.894636 139.9
[M]+ 222.91942142 150.6
[M]- 222.92051858 150.6
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