CID 18688

2,4,4,4-tetrachlorobutan-1-ol

Structural Information

Molecular Formula
C4H6Cl4O
SMILES
C(C(CO)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C4H6Cl4O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2
InChIKey
PHPDBVLDVIRSHU-UHFFFAOYSA-N
Compound name
2,4,4,4-tetrachlorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

209.91728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92456 136.9
[M+Na]+ 232.90650 145.1
[M-H]- 208.91000 133.3
[M+NH4]+ 227.95110 155.6
[M+K]+ 248.88044 140.1
[M+H-H2O]+ 192.91454 136.4
[M+HCOO]- 254.91548 137.2
[M+CH3COO]- 268.93113 182.4
[M+Na-2H]- 230.89195 140.2
[M]+ 209.91673 136.9
[M]- 209.91783 136.9
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