CID 66545189

[2-chloro-4-(1h-1,2,4-triazol-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC(=C(C=C1N2C=NC=N2)Cl)CO
InChI
InChI=1S/C9H8ClN3O/c10-9-3-8(2-1-7(9)4-14)13-6-11-5-12-13/h1-3,5-6,14H,4H2
InChIKey
LXOKIKAKZYHCJX-UHFFFAOYSA-N
Compound name
[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.03558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 141.4
[M+Na]+ 232.02480 152.2
[M-H]- 208.02830 143.2
[M+NH4]+ 227.06940 158.2
[M+K]+ 247.99874 147.2
[M+H-H2O]+ 192.03284 133.3
[M+HCOO]- 254.03378 158.2
[M+CH3COO]- 268.04943 154.2
[M+Na-2H]- 230.01025 147.0
[M]+ 209.03503 143.1
[M]- 209.03613 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.