CID 40418628

(2-chloro-4-iodopyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H5ClINO
SMILES
C1=CN=C(C(=C1I)CO)Cl
InChI
InChI=1S/C6H5ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
InChIKey
BZQRQPAKTCMYIA-UHFFFAOYSA-N
Compound name
(2-chloro-4-iodopyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

268.91043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.91771 133.8
[M+Na]+ 291.89965 137.2
[M-H]- 267.90315 128.4
[M+NH4]+ 286.94425 149.0
[M+K]+ 307.87359 139.3
[M+H-H2O]+ 251.90769 125.4
[M+HCOO]- 313.90863 147.2
[M+CH3COO]- 327.92428 182.2
[M+Na-2H]- 289.88510 129.1
[M]+ 268.90988 132.8
[M]- 268.91098 132.8
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