CID 46948750

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

Structural Information

Molecular Formula
C9H8BrN3O
SMILES
C1=CC=C(C(=C1)N2C=C(N=N2)CO)Br
InChI
InChI=1S/C9H8BrN3O/c10-8-3-1-2-4-9(8)13-5-7(6-14)11-12-13/h1-5,14H,6H2
InChIKey
BRALENGVRFJXOC-UHFFFAOYSA-N
Compound name
[1-(2-bromophenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99236 151.8
[M+Na]+ 275.97430 155.8
[M+NH4]+ 271.01890 155.6
[M+K]+ 291.94824 157.1
[M-H]- 251.97780 151.9
[M+Na-2H]- 273.95975 155.8
[M]+ 252.98453 151.1
[M]- 252.98563 151.1
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.