CID 135541409

879131-38-1

Structural Information

Molecular Formula
C11H7BrClN3O2
SMILES
C1=CC(=C(C=C1Br)NC(=O)C2=CN=CC(=N2)Cl)O
InChI
InChI=1S/C11H7BrClN3O2/c12-6-1-2-9(17)7(3-6)16-11(18)8-4-14-5-10(13)15-8/h1-5,17H,(H,16,18)
InChIKey
FTKJIKBMAMDFSM-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-hydroxyphenyl)-6-chloropyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.941 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.94828 156.5
[M+Na]+ 349.93022 169.1
[M-H]- 325.93372 162.4
[M+NH4]+ 344.97482 171.8
[M+K]+ 365.90416 155.4
[M+H-H2O]+ 309.93826 154.9
[M+HCOO]- 371.93920 171.5
[M+CH3COO]- 385.95485 200.7
[M+Na-2H]- 347.91567 163.6
[M]+ 326.94045 176.2
[M]- 326.94155 176.2
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

No patent data available for this compound.