CID 20583217

904745-59-1

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
C1=C(C=NC(=C1Br)Cl)CO
InChI
InChI=1S/C6H5BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKey
QWDIYYDBPYBDCM-UHFFFAOYSA-N
Compound name
(5-bromo-6-chloropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

220.9243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93158 135.4
[M+Na]+ 243.91352 140.5
[M+NH4]+ 238.95812 140.7
[M+K]+ 259.88746 139.8
[M-H]- 219.91702 135.6
[M+Na-2H]- 241.89897 139.6
[M]+ 220.92375 135.3
[M]- 220.92485 135.3
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

patents stripe