CID 118990275

4,6-dibromo-3-methyl-2-nitrophenol

Structural Information

Molecular Formula
C7H5Br2NO3
SMILES
CC1=C(C(=C(C=C1Br)Br)O)[N+](=O)[O-]
InChI
InChI=1S/C7H5Br2NO3/c1-3-4(8)2-5(9)7(11)6(3)10(12)13/h2,11H,1H3
InChIKey
GQVJTLKZTHZMPZ-UHFFFAOYSA-N
Compound name
4,6-dibromo-3-methyl-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.86362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.87090 146.2
[M+Na]+ 331.85284 157.5
[M-H]- 307.85634 152.5
[M+NH4]+ 326.89744 164.1
[M+K]+ 347.82678 138.7
[M+H-H2O]+ 291.86088 156.7
[M+HCOO]- 353.86182 162.7
[M+CH3COO]- 367.87747 199.3
[M+Na-2H]- 329.83829 152.8
[M]+ 308.86307 180.2
[M]- 308.86417 180.2
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.