CID 16041

2,3-dibromo-1,4-butanediol

Structural Information

Molecular Formula
C4H8Br2O2
SMILES
C(C(C(CO)Br)Br)O
InChI
InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
InChIKey
OXYNQEOLHRWEPE-UHFFFAOYSA-N
Compound name
2,3-dibromobutane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1225
Patents

245.8891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.89638 134.9
[M+Na]+ 268.87832 144.2
[M-H]- 244.88182 136.7
[M+NH4]+ 263.92292 154.2
[M+K]+ 284.85226 128.7
[M+H-H2O]+ 228.88636 142.7
[M+HCOO]- 290.88730 147.6
[M+CH3COO]- 304.90295 192.6
[M+Na-2H]- 266.86377 140.1
[M]+ 245.88855 166.7
[M]- 245.88965 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe