CID 21116983

Raikwsatyupflw-uhfffaoysa-n

Structural Information

Molecular Formula
C7H6Br4O
SMILES
CC1(C(C(=C(C=C1Br)Br)O)Br)Br
InChI
InChI=1S/C7H6Br4O/c1-7(11)4(9)2-3(8)5(12)6(7)10/h2,6,12H,1H3
InChIKey
RAIKWSATYUPFLW-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrabromo-5-methylcyclohexa-1,3-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.7152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.722476 147.8
[M+Na]+ 444.704418 154.5
[M-H]- 420.707924 151.7
[M+NH4]+ 439.749023 159.0
[M+K]+ 460.678358 141.2
[M+H-H2O]+ 404.712460 166.4
[M+HCOO]- 466.713401 153.0
[M+CH3COO]- 480.729051 234.1
[M+Na-2H]- 442.689866 150.6
[M]+ 421.71465142 186.2
[M]- 421.71574858 186.2
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

No patent data available for this compound.