CID 2763878

133902-66-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

15
Patents

209.03558 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe