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

34
Patents

273.00006 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00734 153.0
[M+Na]+ 295.98928 164.4
[M-H]- 271.99278 158.7
[M+NH4]+ 291.03388 172.2
[M+K]+ 311.96322 149.5
[M+H-H2O]+ 255.99732 157.5
[M+HCOO]- 317.99826 172.9
[M+CH3COO]- 332.01391 188.1
[M+Na-2H]- 293.97473 160.7
[M]+ 272.99951 171.3
[M]- 273.00061 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