CID 22929786

4-bromo-2-tert-butyl-6-nitrophenol

Structural Information

Molecular Formula
C10H12BrNO3
SMILES
CC(C)(C)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O
InChI
InChI=1S/C10H12BrNO3/c1-10(2,3)7-4-6(11)5-8(9(7)13)12(14)15/h4-5,13H,1-3H3
InChIKey
IGYZKUXNIXAGHE-UHFFFAOYSA-N
Compound name
4-bromo-2-tert-butyl-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

273.00006 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.007336 153.0
[M+Na]+ 295.989278 164.4
[M-H]- 271.992784 158.7
[M+NH4]+ 291.033883 172.2
[M+K]+ 311.963218 149.5
[M+H-H2O]+ 255.997320 157.5
[M+HCOO]- 317.998261 172.9
[M+CH3COO]- 332.013911 188.1
[M+Na-2H]- 293.974726 160.7
[M]+ 272.99951142 171.3
[M]- 273.00060858 171.3
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