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]+ 269.97603 151.0
[M+Na]+ 291.95797 162.2
[M-H]- 267.96147 159.0
[M+NH4]+ 287.00257 170.3
[M+K]+ 307.93191 149.0
[M+H-H2O]+ 251.96601 154.8
[M+HCOO]- 313.96695 171.4
[M+CH3COO]- 327.98260 189.2
[M+Na-2H]- 289.94342 160.8
[M]+ 268.96820 169.9
[M]- 268.96930 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.