CID 10916003

N-benzyl-3,5-dibromo-2-hydroxy-benzamide

Structural Information

Molecular Formula
C14H11Br2NO2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C14H11Br2NO2/c15-10-6-11(13(18)12(16)7-10)14(19)17-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
InChIKey
YUTVUSIOMFDJRA-UHFFFAOYSA-N
Compound name
N-benzyl-3,5-dibromo-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.91565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.92293 162.3
[M+Na]+ 405.90487 171.1
[M-H]- 381.90837 170.0
[M+NH4]+ 400.94947 177.5
[M+K]+ 421.87881 154.9
[M+H-H2O]+ 365.91291 168.6
[M+HCOO]- 427.91385 177.4
[M+CH3COO]- 441.92950 214.9
[M+Na-2H]- 403.89032 167.0
[M]+ 382.91510 195.2
[M]- 382.91620 195.2
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

patents stripe