CID 112886

4-phenylazophenacyl bromide

Structural Information

Molecular Formula
C14H11BrN2O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
ZXTGCMLCYPYCID-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenyldiazenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

302.0055 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01278 158.4
[M+Na]+ 324.99472 168.0
[M-H]- 300.99822 169.7
[M+NH4]+ 320.03932 177.3
[M+K]+ 340.96866 156.9
[M+H-H2O]+ 285.00276 155.7
[M+HCOO]- 347.00370 184.4
[M+CH3COO]- 361.01935 207.4
[M+Na-2H]- 322.98017 166.8
[M]+ 302.00495 177.8
[M]- 302.00605 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe