CID 53401482

(5-bromo-2-chloropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
C1=C(C(=CN=C1Cl)Br)CO
InChI
InChI=1S/C6H5BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2
InChIKey
OFGOXDSEEYDXQV-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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 131.5
[M+Na]+ 243.91352 145.6
[M-H]- 219.91702 135.8
[M+NH4]+ 238.95812 152.9
[M+K]+ 259.88746 132.8
[M+H-H2O]+ 203.92156 132.7
[M+HCOO]- 265.92250 147.7
[M+CH3COO]- 279.93815 181.1
[M+Na-2H]- 241.89897 140.2
[M]+ 220.92375 151.5
[M]- 220.92485 151.5
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