CID 24703634

1016889-14-7

Structural Information

Molecular Formula
C12H10BrNO
SMILES
C1=CC(=CC(=C1)Br)OCC2=CN=CC=C2
InChI
InChI=1S/C12H10BrNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9H2
InChIKey
BNBOLKBOLXBZLZ-UHFFFAOYSA-N
Compound name
3-[(3-bromophenoxy)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.99457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00185 148.1
[M+Na]+ 285.98379 159.4
[M-H]- 261.98729 156.0
[M+NH4]+ 281.02839 167.1
[M+K]+ 301.95773 148.2
[M+H-H2O]+ 245.99183 147.0
[M+HCOO]- 307.99277 169.7
[M+CH3COO]- 322.00842 191.7
[M+Na-2H]- 283.96924 157.5
[M]+ 262.99402 167.5
[M]- 262.99512 167.5
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.