CID 14072053

112110-13-1

Structural Information

Molecular Formula
C4H6ClF
SMILES
C=C(CF)CCl
InChI
InChI=1S/C4H6ClF/c1-4(2-5)3-6/h1-3H2
InChIKey
LPVAUXPEOCMFRJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-fluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

108.014206 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.02148 115.4
[M+Na]+ 131.00342 124.3
[M-H]- 107.00693 114.6
[M+NH4]+ 126.04803 139.2
[M+K]+ 146.97736 122.0
[M+H-H2O]+ 91.011466 111.7
[M+HCOO]- 153.01241 133.5
[M+CH3COO]- 167.02806 167.9
[M+Na-2H]- 128.98887 121.6
[M]+ 108.01366 115.1
[M]- 108.01475 115.1
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

patents stripe