CID 6481685

1-(4-bromophenyl)-2-(triazol-2-yl)ethanol

Structural Information

Molecular Formula
C10H10BrN3O
SMILES
C1=CC(=CC=C1C(CN2N=CC=N2)O)Br
InChI
InChI=1S/C10H10BrN3O/c11-9-3-1-8(2-4-9)10(15)7-14-12-5-6-13-14/h1-6,10,15H,7H2
InChIKey
ZATOZJSVNXHUAR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(triazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.00073 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00801 149.1
[M+Na]+ 289.98995 160.6
[M-H]- 265.99345 153.6
[M+NH4]+ 285.03455 166.4
[M+K]+ 305.96389 149.3
[M+H-H2O]+ 249.99799 147.4
[M+HCOO]- 311.99893 167.3
[M+CH3COO]- 326.01458 162.9
[M+Na-2H]- 287.97540 155.5
[M]+ 267.00018 167.3
[M]- 267.00128 167.3
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.