CID 28291

Isopropylidene-dbm

Structural Information

Molecular Formula
C9H16Br2O4
SMILES
CC1(C(C1(C(CBr)O)O)(C(CBr)O)O)C
InChI
InChI=1S/C9H16Br2O4/c1-7(2)8(14,5(12)3-10)9(7,15)6(13)4-11/h5-6,12-15H,3-4H2,1-2H3
InChIKey
KEOBBYNROASRIK-UHFFFAOYSA-N
Compound name
1,2-bis(2-bromo-1-hydroxyethyl)-3,3-dimethylcyclopropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.94153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.94881 155.8
[M+Na]+ 368.93075 149.7
[M+NH4]+ 363.97535 158.8
[M+K]+ 384.90469 155.8
[M-H]- 344.93425 158.1
[M+Na-2H]- 366.91620 158.1
[M]+ 345.94098 155.3
[M]- 345.94208 155.3
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.