CID 53474091

[1-(2-chlorophenyl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC=C(C(=C1)N2C=C(N=N2)CO)Cl
InChI
InChI=1S/C9H8ClN3O/c10-8-3-1-2-4-9(8)13-5-7(6-14)11-12-13/h1-5,14H,6H2
InChIKey
IWUAROCRGSEOMO-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

209.03558 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe