CID 155973784

7-bromo-5-methoxyquinoxaline

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
COC1=CC(=CC2=NC=CN=C12)Br
InChI
InChI=1S/C9H7BrN2O/c1-13-8-5-6(10)4-7-9(8)12-3-2-11-7/h2-5H,1H3
InChIKey
CMGHKNIWEIEFLC-UHFFFAOYSA-N
Compound name
7-bromo-5-methoxyquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.97418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 139.3
[M+Na]+ 260.96340 152.8
[M-H]- 236.96690 144.4
[M+NH4]+ 256.00800 159.5
[M+K]+ 276.93734 142.0
[M+H-H2O]+ 220.97144 138.7
[M+HCOO]- 282.97238 159.1
[M+CH3COO]- 296.98803 154.8
[M+Na-2H]- 258.94885 150.4
[M]+ 237.97363 159.9
[M]- 237.97473 159.9
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

patents stripe