CID 719757

2,4-dibromo-6-tert-butylphenol

Structural Information

Molecular Formula
C10H12Br2O
SMILES
CC(C)(C)C1=C(C(=CC(=C1)Br)Br)O
InChI
InChI=1S/C10H12Br2O/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,1-3H3
InChIKey
KSURDFVRHGKTAA-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

305.92548 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.93276 147.7
[M+Na]+ 328.91470 159.2
[M-H]- 304.91820 153.9
[M+NH4]+ 323.95930 166.7
[M+K]+ 344.88864 143.3
[M+H-H2O]+ 288.92274 156.1
[M+HCOO]- 350.92368 161.6
[M+CH3COO]- 364.93933 204.2
[M+Na-2H]- 326.90015 153.8
[M]+ 305.92493 181.7
[M]- 305.92603 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe