CID 74891413

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

Structural Information

Molecular Formula
C6H4BrClFN
SMILES
C1=CN=C(C(=C1CCl)F)Br
InChI
InChI=1S/C6H4BrClFN/c7-6-5(9)4(3-8)1-2-10-6/h1-2H,3H2
InChIKey
WTPWIVPQSVZCSY-UHFFFAOYSA-N
Compound name
2-bromo-4-(chloromethyl)-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.91997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.92725 131.2
[M+Na]+ 245.90919 145.9
[M-H]- 221.91269 135.5
[M+NH4]+ 240.95379 153.3
[M+K]+ 261.88313 133.2
[M+H-H2O]+ 205.91723 131.5
[M+HCOO]- 267.91817 147.6
[M+CH3COO]- 281.93382 184.3
[M+Na-2H]- 243.89464 139.9
[M]+ 222.91942 150.6
[M]- 222.92052 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