CID 80320

3-chloro-2-fluoroprop-1-ene

Structural Information

Molecular Formula
C3H4ClF
SMILES
C=C(CCl)F
InChI
InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2
InChIKey
OOFDLUQVLPGWMM-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

148
Patents

93.99856 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.005836 110.6
[M+Na]+ 116.98778 119.9
[M-H]- 92.991284 110.0
[M+NH4]+ 112.03238 135.0
[M+K]+ 132.96172 117.9
[M+H-H2O]+ 76.995820 107.2
[M+HCOO]- 138.99676 129.0
[M+CH3COO]- 153.01241 164.8
[M+Na-2H]- 114.97323 117.4
[M]+ 93.998011 110.0
[M]- 93.999109 110.0
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