CID 11718

2,2-dichloroethanol

Structural Information

Molecular Formula
C2H4Cl2O
SMILES
C(C(Cl)Cl)O
InChI
InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
InChIKey
IDJOCJAIQSKSOP-UHFFFAOYSA-N
Compound name
2,2-dichloroethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

252
References

54194
Patents

113.96392 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.971196 114.4
[M+Na]+ 136.953138 123.7
[M-H]- 112.956644 113.2
[M+NH4]+ 131.997743 137.6
[M+K]+ 152.927078 120.6
[M+H-H2O]+ 96.961180 112.9
[M+HCOO]- 158.962121 127.7
[M+CH3COO]- 172.977771 164.4
[M+Na-2H]- 134.938586 120.8
[M]+ 113.96337142 115.5
[M]- 113.96446858 115.5
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