CID 102809

2419-73-0

Structural Information

Molecular Formula
C4H8Cl2O2
SMILES
C(C(C(CCl)O)O)Cl
InChI
InChI=1S/C4H8Cl2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2
InChIKey
SAUBRJOIKMVSRU-UHFFFAOYSA-N
Compound name
1,4-dichlorobutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

157.99013 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99741 126.3
[M+Na]+ 180.97935 134.1
[M-H]- 156.98285 123.6
[M+NH4]+ 176.02395 147.0
[M+K]+ 196.95329 130.5
[M+H-H2O]+ 140.98739 124.7
[M+HCOO]- 202.98833 136.9
[M+CH3COO]- 217.00398 170.4
[M+Na-2H]- 178.96480 129.9
[M]+ 157.98958 127.2
[M]- 157.99068 127.2
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