CID 14830026

1-propanol, 2,2-dibromo-

Structural Information

Molecular Formula
C3H6Br2O
SMILES
CC(CO)(Br)Br
InChI
InChI=1S/C3H6Br2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKey
UYEQIMQEZRVKCR-UHFFFAOYSA-N
Compound name
2,2-dibromopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.87854 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.885816 127.9
[M+Na]+ 238.867758 139.1
[M-H]- 214.871264 131.4
[M+NH4]+ 233.912363 149.1
[M+K]+ 254.841698 123.9
[M+H-H2O]+ 198.875800 136.7
[M+HCOO]- 260.876741 142.4
[M+CH3COO]- 274.892391 189.8
[M+Na-2H]- 236.853206 136.7
[M]+ 215.87799142 160.7
[M]- 215.87908858 160.7
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