CID 10331382

5-bromo-2-tert-butylphenol

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(C)C1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C10H13BrO/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6,12H,1-3H3
InChIKey
WVASYFONLONAQS-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

228.01498 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 143.5
[M+Na]+ 251.00420 155.5
[M-H]- 227.00770 149.1
[M+NH4]+ 246.04880 165.3
[M+K]+ 266.97814 144.3
[M+H-H2O]+ 211.01224 144.6
[M+HCOO]- 273.01318 162.4
[M+CH3COO]- 287.02883 186.0
[M+Na-2H]- 248.98965 150.7
[M]+ 228.01443 162.0
[M]- 228.01553 162.0
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