CID 12259933

(2,5,6-trichloropyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H4Cl3NO
SMILES
C1=C(C(=NC(=C1Cl)Cl)Cl)CO
InChI
InChI=1S/C6H4Cl3NO/c7-4-1-3(2-11)5(8)10-6(4)9/h1,11H,2H2
InChIKey
DIKOCDNAUXARJW-UHFFFAOYSA-N
Compound name
(2,5,6-trichloropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.93585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.94313 133.7
[M+Na]+ 233.92507 145.4
[M-H]- 209.92857 133.5
[M+NH4]+ 228.96967 152.3
[M+K]+ 249.89901 139.7
[M+H-H2O]+ 193.93311 130.4
[M+HCOO]- 255.93405 141.3
[M+CH3COO]- 269.94970 182.2
[M+Na-2H]- 231.91052 138.6
[M]+ 210.93530 136.3
[M]- 210.93640 136.3
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