CID 9604802

1-(4-bromophenyl)-2-(triazol-2-yl)ethanone oxime

Structural Information

Molecular Formula
C10H9BrN4O
SMILES
C1=CC(=CC=C1/C(=N\O)/CN2N=CC=N2)Br
InChI
InChI=1S/C10H9BrN4O/c11-9-3-1-8(2-4-9)10(14-16)7-15-12-5-6-13-15/h1-6,16H,7H2/b14-10-
InChIKey
YTDLKNZLHROQBC-UVTDQMKNSA-N
Compound name
(NE)-N-[1-(4-bromophenyl)-2-(triazol-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.99597 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00325 150.3
[M+Na]+ 302.98519 161.6
[M-H]- 278.98869 156.1
[M+NH4]+ 298.02979 167.4
[M+K]+ 318.95913 150.3
[M+H-H2O]+ 262.99323 147.7
[M+HCOO]- 324.99417 171.1
[M+CH3COO]- 339.00982 195.1
[M+Na-2H]- 300.97064 157.7
[M]+ 279.99542 168.7
[M]- 279.99652 168.7
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.