CID 15708903

1-propanol, 3,3'-oxybis[2,2-bis(bromomethyl)-

Structural Information

Molecular Formula
C10H18Br4O3
SMILES
C(C(COCC(CO)(CBr)CBr)(CBr)CBr)O
InChI
InChI=1S/C10H18Br4O3/c11-1-9(2-12,5-15)7-17-8-10(3-13,4-14)6-16/h15-16H,1-8H2
InChIKey
PSOOUFUNTVOUML-UHFFFAOYSA-N
Compound name
2-[[2,2-bis(bromomethyl)-3-hydroxypropoxy]methyl]-3-bromo-2-(bromomethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

501.79895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.80623 173.9
[M+Na]+ 524.78817 178.8
[M-H]- 500.79167 175.3
[M+NH4]+ 519.83277 182.4
[M+K]+ 540.76211 163.8
[M+H-H2O]+ 484.79621 190.4
[M+HCOO]- 546.79715 176.5
[M+CH3COO]- 560.81280 237.6
[M+Na-2H]- 522.77362 174.6
[M]+ 501.79840 211.9
[M]- 501.79950 211.9
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

patents stripe