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-methyl-3-pyridinyl)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]+ 235.947236 135.6
[M+Na]+ 257.929178 150.2
[M-H]- 233.932684 140.1
[M+NH4]+ 252.973783 156.8
[M+K]+ 273.903118 137.2
[M+H-H2O]+ 217.937220 136.8
[M+HCOO]- 279.938161 151.5
[M+CH3COO]- 293.953811 185.0
[M+Na-2H]- 255.914626 143.2
[M]+ 234.93941142 156.3
[M]- 234.94050858 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.