CID 62400338

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

Structural Information

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.