CID 62471308

1250529-72-6

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CN=C(C=C1CN2C=NC=N2)Cl
InChI
InChI=1S/C8H7ClN4/c9-8-3-7(1-2-11-8)4-13-6-10-5-12-13/h1-3,5-6H,4H2
InChIKey
UHOXEAAXEZKCGY-UHFFFAOYSA-N
Compound name
2-chloro-4-(1,2,4-triazol-1-ylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 137.7
[M+Na]+ 217.02514 148.4
[M-H]- 193.02864 138.9
[M+NH4]+ 212.06974 154.0
[M+K]+ 232.99908 143.8
[M+H-H2O]+ 177.03318 128.0
[M+HCOO]- 239.03412 154.4
[M+CH3COO]- 253.04977 150.5
[M+Na-2H]- 215.01059 144.7
[M]+ 194.03537 139.4
[M]- 194.03647 139.4
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.