CID 169730

Dichloromethanol

Structural Information

Molecular Formula
CH2Cl2O
SMILES
C(O)(Cl)Cl
InChI
InChI=1S/CH2Cl2O/c2-1(3)4/h1,4H
InChIKey
GJYVZUKSNFSLCL-UHFFFAOYSA-N
Compound name
dichloromethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

14066
Patents

99.94827 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.955546 109.7
[M+Na]+ 122.937488 119.4
[M-H]- 98.940994 108.7
[M+NH4]+ 117.982093 133.4
[M+K]+ 138.911428 116.6
[M+H-H2O]+ 82.945530 108.4
[M+HCOO]- 144.946471 123.3
[M+CH3COO]- 158.962121 161.4
[M+Na-2H]- 120.922936 116.7
[M]+ 99.94772142 110.5
[M]- 99.94881858 110.5
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