CID 14761462

(4-bromopyridin-2-yl)methanol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CN=C(C=C1Br)CO
InChI
InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKey
MHVUUSQGWMQSMH-UHFFFAOYSA-N
Compound name
(4-bromo-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
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

literature stripe

Patent stripe

patents stripe