CID 231273

3,3-dichloroprop-2-en-1-ol

Structural Information

Molecular Formula
C3H4Cl2O
SMILES
C(C=C(Cl)Cl)O
InChI
InChI=1S/C3H4Cl2O/c4-3(5)1-2-6/h1,6H,2H2
InChIKey
KJEGVVJINLACNZ-UHFFFAOYSA-N
Compound name
3,3-dichloroprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

458
Patents

125.96392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.97120 118.2
[M+Na]+ 148.95314 127.4
[M-H]- 124.95664 116.9
[M+NH4]+ 143.99774 140.9
[M+K]+ 164.92708 123.5
[M+H-H2O]+ 108.96118 116.6
[M+HCOO]- 170.96212 131.3
[M+CH3COO]- 184.97777 165.7
[M+Na-2H]- 146.93859 124.1
[M]+ 125.96337 118.9
[M]- 125.96447 118.9
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

No patent data available for this compound.