CID 119056851

Methyl 4-bromo-3-hydrazinylbenzoate dihydrochloride

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
COC(=O)C1=CC(=C(C=C1)Br)NN
InChI
InChI=1S/C8H9BrN2O2/c1-13-8(12)5-2-3-6(9)7(4-5)11-10/h2-4,11H,10H2,1H3
InChIKey
ZXHMYHFZGHUOEB-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-hydrazinylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 142.9
[M+Na]+ 266.97396 153.4
[M-H]- 242.97746 148.8
[M+NH4]+ 262.01856 163.0
[M+K]+ 282.94790 142.5
[M+H-H2O]+ 226.98200 141.4
[M+HCOO]- 288.98294 165.8
[M+CH3COO]- 302.99859 193.0
[M+Na-2H]- 264.95941 149.1
[M]+ 243.98419 160.3
[M]- 243.98529 160.3
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.