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]+ 155.000676 126.2
[M+Na]+ 176.982618 138.7
[M-H]- 152.986124 127.5
[M+NH4]+ 172.027223 144.5
[M+K]+ 192.956558 134.5
[M+H-H2O]+ 136.990660 114.9
[M+HCOO]- 198.991601 141.5
[M+CH3COO]- 213.007251 184.8
[M+Na-2H]- 174.968066 133.2
[M]+ 153.99285142 122.4
[M]- 153.99394858 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.