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]+ 114.992108 121.5
[M-H]- 90.995614 112.0
[M+NH4]+ 110.036713 136.4
[M+K]+ 130.966048 119.3
[M+H-H2O]+ 75.000150 110.2
[M+HCOO]- 137.001091 130.8
[M+CH3COO]- 151.016741 161.2
[M+Na-2H]- 112.977556 119.2
[M]+ 92.00234142 112.6
[M]- 92.00343858 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

literature stripe

Patent stripe

patents stripe