CID 86107755

5-bromo-3-methyl-2-nitrophenol

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
CC1=CC(=CC(=C1[N+](=O)[O-])O)Br
InChI
InChI=1S/C7H6BrNO3/c1-4-2-5(8)3-6(10)7(4)9(11)12/h2-3,10H,1H3
InChIKey
FXIHHDSOSXEMHM-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.95311 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 138.8
[M+Na]+ 253.94233 150.9
[M-H]- 229.94583 144.6
[M+NH4]+ 248.98693 159.4
[M+K]+ 269.91627 136.3
[M+H-H2O]+ 213.95037 143.2
[M+HCOO]- 275.95131 161.1
[M+CH3COO]- 289.96696 180.0
[M+Na-2H]- 251.92778 147.0
[M]+ 230.95256 156.7
[M]- 230.95366 156.7
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