CID 24700025

2-(4-bromophenoxy)-5-methylpyridine

Structural Information

Molecular Formula
C12H10BrNO
SMILES
CC1=CN=C(C=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNO/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11/h2-8H,1H3
InChIKey
RZXUVVWLPHZLQB-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.99457 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00185 147.9
[M+Na]+ 285.98379 160.0
[M-H]- 261.98729 156.1
[M+NH4]+ 281.02839 167.1
[M+K]+ 301.95773 148.8
[M+H-H2O]+ 245.99183 146.9
[M+HCOO]- 307.99277 169.4
[M+CH3COO]- 322.00842 192.7
[M+Na-2H]- 283.96924 156.6
[M]+ 262.99402 167.6
[M]- 262.99512 167.6
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