CID 14830026

2,2-dibromopropan-1-ol

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]+ 216.88582 127.9
[M+Na]+ 238.86776 139.1
[M-H]- 214.87126 131.4
[M+NH4]+ 233.91236 149.1
[M+K]+ 254.84170 123.9
[M+H-H2O]+ 198.87580 136.7
[M+HCOO]- 260.87674 142.4
[M+CH3COO]- 274.89239 189.8
[M+Na-2H]- 236.85321 136.7
[M]+ 215.87799 160.7
[M]- 215.87909 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