CID 7062237

100704-10-7

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CN=C(C=C1CO)Cl
InChI
InChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKey
UDDVPFLXGOBESH-UHFFFAOYSA-N
Compound name
(2-chloro-4-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

725
Patents

143.0138 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 123.2
[M+Na]+ 166.003018 133.2
[M-H]- 142.006524 124.5
[M+NH4]+ 161.047623 143.9
[M+K]+ 181.976958 129.6
[M+H-H2O]+ 126.011060 118.4
[M+HCOO]- 188.012001 141.6
[M+CH3COO]- 202.027651 169.3
[M+Na-2H]- 163.988466 131.6
[M]+ 143.01325142 124.3
[M]- 143.01434858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe