CID 11336

3,4,5,6-tetrabromo-o-cresol

Structural Information

Molecular Formula
C7H4Br4O
SMILES
CC1=C(C(=C(C(=C1Br)Br)Br)Br)O
InChI
InChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChIKey
GGIDUULRWQOXLR-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromo-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1232
Patents

419.6996 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.70688 145.5
[M+Na]+ 442.68882 152.5
[M-H]- 418.69232 149.5
[M+NH4]+ 437.73342 156.1
[M+K]+ 458.66276 139.1
[M+H-H2O]+ 402.69686 163.5
[M+HCOO]- 464.69780 151.2
[M+CH3COO]- 478.71345 234.5
[M+Na-2H]- 440.67427 148.2
[M]+ 419.69905 183.9
[M]- 419.70015 183.9
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