CID 393333

Nsc695041

Structural Information

Molecular Formula
C14H11BrN2O3
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C14H11BrN2O3/c15-10-5-3-4-9(8-10)13(19)16-17-14(20)11-6-1-2-7-12(11)18/h1-8,18H,(H,16,19)(H,17,20)
InChIKey
ULHQLAPEEWNTKE-UHFFFAOYSA-N
Compound name
N'-(3-bromobenzoyl)-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

333.9953 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.00258 165.7
[M+Na]+ 356.98452 174.2
[M-H]- 332.98802 173.4
[M+NH4]+ 352.02912 181.4
[M+K]+ 372.95846 162.2
[M+H-H2O]+ 316.99256 163.2
[M+HCOO]- 378.99350 186.7
[M+CH3COO]- 393.00915 205.2
[M+Na-2H]- 354.96997 170.8
[M]+ 333.99475 182.0
[M]- 333.99585 182.0
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

No patent data available for this compound.