CID 62401068

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

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)N2C=C(N=N2)CO
InChI
InChI=1S/C9H7Cl2N3O/c10-6-1-2-9(8(11)3-6)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKey
AJCAHVICDDRILC-UHFFFAOYSA-N
Compound name
[1-(2,4-dichlorophenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

242.99661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00389 147.3
[M+Na]+ 265.98583 159.1
[M-H]- 241.98933 148.5
[M+NH4]+ 261.03043 163.3
[M+K]+ 281.95977 152.9
[M+H-H2O]+ 225.99387 139.5
[M+HCOO]- 287.99481 158.6
[M+CH3COO]- 302.01046 159.5
[M+Na-2H]- 263.97128 151.2
[M]+ 242.99606 150.1
[M]- 242.99716 150.1
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