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]+ 268.008006 149.1
[M+Na]+ 289.989948 160.6
[M-H]- 265.993454 153.6
[M+NH4]+ 285.034553 166.4
[M+K]+ 305.963888 149.3
[M+H-H2O]+ 249.997990 147.4
[M+HCOO]- 311.998931 167.3
[M+CH3COO]- 326.014581 162.9
[M+Na-2H]- 287.975396 155.5
[M]+ 267.00018142 167.3
[M]- 267.00127858 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.