CID 14022521

(3-bromopyridin-2-yl)methanol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CC(=C(N=C1)CO)Br
InChI
InChI=1S/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
InChIKey
FTTLCYCJDYIEFO-UHFFFAOYSA-N
Compound name
(3-bromopyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

186.96329 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 129.8
[M+Na]+ 209.95251 133.9
[M+NH4]+ 204.99711 134.9
[M+K]+ 225.92645 133.8
[M-H]- 185.95601 129.9
[M+Na-2H]- 207.93796 134.2
[M]+ 186.96274 129.2
[M]- 186.96384 129.2
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