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-bromo-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

186.96329 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 127.7
[M+Na]+ 209.952508 140.0
[M-H]- 185.956014 131.8
[M+NH4]+ 204.997113 149.3
[M+K]+ 225.926448 129.2
[M+H-H2O]+ 169.960550 128.1
[M+HCOO]- 231.961491 148.3
[M+CH3COO]- 245.977141 176.4
[M+Na-2H]- 207.937956 137.4
[M]+ 186.96274142 145.7
[M]- 186.96383858 145.7
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