CID 2748769

1-(4-chlorophenyl)-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H6ClN3O
SMILES
C1=CC(=CC=C1N2C=C(N=N2)C=O)Cl
InChI
InChI=1S/C9H6ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
InChIKey
QMQRIACXYRMOBZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

8
Patents

207.01994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02722 140.2
[M+Na]+ 230.00916 151.7
[M-H]- 206.01266 143.4
[M+NH4]+ 225.05376 157.7
[M+K]+ 245.98310 147.0
[M+H-H2O]+ 190.01720 131.8
[M+HCOO]- 252.01814 158.6
[M+CH3COO]- 266.03379 153.8
[M+Na-2H]- 227.99461 146.2
[M]+ 207.01939 143.1
[M]- 207.02049 143.1
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.