CID 119006681

2-chloro-3-hydroxyisonicotinonitrile

Structural Information

Molecular Formula
C6H3ClN2O
SMILES
C1=CN=C(C(=C1C#N)O)Cl
InChI
InChI=1S/C6H3ClN2O/c7-6-5(10)4(3-8)1-2-9-6/h1-2,10H
InChIKey
CTUMIJZZOUKNRD-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxypyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.9934 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00068 126.2
[M+Na]+ 176.98262 138.7
[M-H]- 152.98612 127.5
[M+NH4]+ 172.02722 144.5
[M+K]+ 192.95656 134.5
[M+H-H2O]+ 136.99066 114.9
[M+HCOO]- 198.99160 141.5
[M+CH3COO]- 213.00725 184.8
[M+Na-2H]- 174.96807 133.2
[M]+ 153.99285 122.4
[M]- 153.99395 122.4
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

No patent data available for this compound.