CID 162345629

Ns00133739

Structural Information

Molecular Formula
C3H2Br4O
SMILES
C(/C(=C(\O)/Br)/Br)(Br)Br
InChI
InChI=1S/C3H2Br4O/c4-1(2(5)6)3(7)8/h2,8H/b3-1+
InChIKey
XTCOSUGFNURMKH-HNQUOIGGSA-N
Compound name
(Z)-1,2,3,3-tetrabromoprop-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.6839 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.691176 147.3
[M+Na]+ 392.673118 153.5
[M-H]- 368.676624 149.8
[M+NH4]+ 387.717723 158.1
[M+K]+ 408.647058 139.4
[M+H-H2O]+ 352.681160 164.8
[M+HCOO]- 414.682101 151.9
[M+CH3COO]- 428.697751 230.6
[M+Na-2H]- 390.658566 149.3
[M]+ 369.68335142 184.1
[M]- 369.68444858 184.1
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.