CID 92107

1-chloro-3-fluoro-2-propanol

Structural Information

Molecular Formula
C3H6ClFO
SMILES
C(C(CCl)O)F
InChI
InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
ZNKJYZHZWALQNX-UHFFFAOYSA-N
Compound name
1-chloro-3-fluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

112.00912 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.01640 115.8
[M+Na]+ 134.99834 124.4
[M-H]- 111.00184 113.7
[M+NH4]+ 130.04294 138.8
[M+K]+ 150.97228 122.4
[M+H-H2O]+ 95.006380 112.3
[M+HCOO]- 157.00732 132.8
[M+CH3COO]- 171.02297 164.9
[M+Na-2H]- 132.98379 121.9
[M]+ 112.00857 115.4
[M]- 112.00967 115.4
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