CID 3018338

72370-19-5

Structural Information

Molecular Formula
C16H14BrNO3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)CBr)C(=O)N
InChI
InChI=1S/C16H14BrNO3/c17-9-14(19)12-6-7-15(13(8-12)16(18)20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,20)
InChIKey
LUQQESVFZAPODX-UHFFFAOYSA-N
Compound name
5-(2-bromoacetyl)-2-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

347.01572 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02300 171.7
[M+Na]+ 370.00494 180.5
[M-H]- 346.00844 179.9
[M+NH4]+ 365.04954 187.5
[M+K]+ 385.97888 168.8
[M+H-H2O]+ 330.01298 169.3
[M+HCOO]- 392.01392 191.9
[M+CH3COO]- 406.02957 209.5
[M+Na-2H]- 367.99039 174.8
[M]+ 347.01517 190.4
[M]- 347.01627 190.4
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