CID 258817

69673-99-0

Structural Information

Molecular Formula
C14H10Br2N2O2
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H10Br2N2O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20)
InChIKey
OJCDNDVAJJIWRW-UHFFFAOYSA-N
Compound name
4-bromo-N'-(4-bromobenzoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

395.9109 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.91818 165.0
[M+Na]+ 418.90012 172.6
[M-H]- 394.90362 173.3
[M+NH4]+ 413.94472 179.6
[M+K]+ 434.87406 156.6
[M+H-H2O]+ 378.90816 170.1
[M+HCOO]- 440.90910 181.3
[M+CH3COO]- 454.92475 218.8
[M+Na-2H]- 416.88557 169.8
[M]+ 395.91035 197.1
[M]- 395.91145 197.1
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