CID 378439

2-bromo-8-hydroxy-6-methylnaphthoquinone

Structural Information

Molecular Formula
C11H7BrO3
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Br
InChI
InChI=1S/C11H7BrO3/c1-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3
InChIKey
JTXZJKMQLWGQLZ-UHFFFAOYSA-N
Compound name
2-bromo-8-hydroxy-6-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

265.95786 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96514 145.2
[M+Na]+ 288.94708 159.1
[M-H]- 264.95058 152.1
[M+NH4]+ 283.99168 166.5
[M+K]+ 304.92102 147.5
[M+H-H2O]+ 248.95512 145.9
[M+HCOO]- 310.95606 164.4
[M+CH3COO]- 324.97171 192.8
[M+Na-2H]- 286.93253 151.6
[M]+ 265.95731 164.6
[M]- 265.95841 164.6
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