CID 80076

2-chloro-2-propen-1-ol

Structural Information

Molecular Formula
C3H5ClO
SMILES
C=C(CO)Cl
InChI
InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2
InChIKey
OSCXYTRISGREIM-UHFFFAOYSA-N
Compound name
2-chloroprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

988
Patents

92.00289 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 112.6
[M+Na]+ 114.99211 121.5
[M-H]- 90.995614 112.0
[M+NH4]+ 110.03671 136.4
[M+K]+ 130.96605 119.3
[M+H-H2O]+ 75.000150 110.2
[M+HCOO]- 137.00109 130.8
[M+CH3COO]- 151.01674 161.2
[M+Na-2H]- 112.97756 119.2
[M]+ 92.002341 112.6
[M]- 92.003439 112.6
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.