CID 42446

6-bromo-2-methyl-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
CC1C(=CC2=C(O1)C=CC(=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H8BrNO3/c1-6-9(12(13)14)5-7-4-8(11)2-3-10(7)15-6/h2-6H,1H3
InChIKey
BHJDKSKMSZOUGB-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.976026 151.0
[M+Na]+ 291.957968 162.2
[M-H]- 267.961474 159.0
[M+NH4]+ 287.002573 170.3
[M+K]+ 307.931908 149.0
[M+H-H2O]+ 251.966010 154.8
[M+HCOO]- 313.966951 171.4
[M+CH3COO]- 327.982601 189.2
[M+Na-2H]- 289.943416 160.8
[M]+ 268.96820142 169.9
[M]- 268.96929858 169.9
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

No patent data available for this compound.