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 144.2
[M+Na]+ 275.97430 157.3
[M-H]- 251.97780 149.1
[M+NH4]+ 271.01890 162.4
[M+K]+ 291.94824 145.7
[M+H-H2O]+ 235.98234 142.7
[M+HCOO]- 297.98328 163.7
[M+CH3COO]- 311.99893 158.8
[M+Na-2H]- 273.95975 151.5
[M]+ 252.98453 162.9
[M]- 252.98563 162.9
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.