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]+ 210.042856 141.4
[M+Na]+ 232.024798 152.2
[M-H]- 208.028304 143.2
[M+NH4]+ 227.069403 158.2
[M+K]+ 247.998738 147.2
[M+H-H2O]+ 192.032840 133.3
[M+HCOO]- 254.033781 158.2
[M+CH3COO]- 268.049431 154.2
[M+Na-2H]- 230.010246 147.0
[M]+ 209.03503142 143.1
[M]- 209.03612858 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.