CID 2784733

(5-bromo-3-pyridinyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1324
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 127.7
[M+Na]+ 209.95251 140.0
[M-H]- 185.95601 131.8
[M+NH4]+ 204.99711 149.3
[M+K]+ 225.92645 129.2
[M+H-H2O]+ 169.96055 128.1
[M+HCOO]- 231.96149 148.3
[M+CH3COO]- 245.97714 176.4
[M+Na-2H]- 207.93796 137.4
[M]+ 186.96274 145.7
[M]- 186.96384 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

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