CID 9679784

4-(2-acetylcarbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C16H13BrN2O3
SMILES
CC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13BrN2O3/c1-11(20)19-18-10-12-5-7-15(8-6-12)22-16(21)13-3-2-4-14(17)9-13/h2-10H,1H3,(H,19,20)/b18-10+
InChIKey
MWDLWLFRHRZZQV-VCHYOVAHSA-N
Compound name
[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.01096 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.01824 172.6
[M+Na]+ 383.00018 181.4
[M-H]- 359.00368 182.6
[M+NH4]+ 378.04478 188.5
[M+K]+ 398.97412 170.1
[M+H-H2O]+ 343.00822 169.4
[M+HCOO]- 405.00916 196.0
[M+CH3COO]- 419.02481 214.5
[M+Na-2H]- 380.98563 177.6
[M]+ 360.01041 192.4
[M]- 360.01151 192.4
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

No patent data available for this compound.