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

74
Patents

209.91728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.924556 136.9
[M+Na]+ 232.906498 145.1
[M-H]- 208.910004 133.3
[M+NH4]+ 227.951103 155.6
[M+K]+ 248.880438 140.1
[M+H-H2O]+ 192.914540 136.4
[M+HCOO]- 254.915481 137.2
[M+CH3COO]- 268.931131 182.4
[M+Na-2H]- 230.891946 140.2
[M]+ 209.91673142 136.9
[M]- 209.91782858 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