CID 124253002

1936227-62-1

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
CC1=C(C=C(C(=N1)Cl)CO)Br
InChI
InChI=1S/C7H7BrClNO/c1-4-6(8)2-5(3-11)7(9)10-4/h2,11H,3H2,1H3
InChIKey
HFYQEIXPNYSTRL-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloro-6-methylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.93996 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 135.6
[M+Na]+ 257.92918 150.2
[M-H]- 233.93268 140.1
[M+NH4]+ 252.97378 156.8
[M+K]+ 273.90312 137.2
[M+H-H2O]+ 217.93722 136.8
[M+HCOO]- 279.93816 151.5
[M+CH3COO]- 293.95381 185.0
[M+Na-2H]- 255.91463 143.2
[M]+ 234.93941 156.3
[M]- 234.94051 156.3
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

No patent data available for this compound.