CID 71758663

{5-[(2-bromophenyl)methyl]-4h-1,2,4-triazol-3-yl}methanol

Structural Information

Molecular Formula
C10H10BrN3O
SMILES
C1=CC=C(C(=C1)CC2=NC(=NN2)CO)Br
InChI
InChI=1S/C10H10BrN3O/c11-8-4-2-1-3-7(8)5-9-12-10(6-15)14-13-9/h1-4,15H,5-6H2,(H,12,13,14)
InChIKey
PPNZAWAFDDXWHR-UHFFFAOYSA-N
Compound name
[5-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.00073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00801 149.5
[M+Na]+ 289.98995 161.6
[M-H]- 265.99345 152.9
[M+NH4]+ 285.03455 166.4
[M+K]+ 305.96389 149.0
[M+H-H2O]+ 249.99799 148.0
[M+HCOO]- 311.99893 167.2
[M+CH3COO]- 326.01458 163.0
[M+Na-2H]- 287.97540 155.8
[M]+ 267.00018 166.8
[M]- 267.00128 166.8
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.