CID 2736716

2-chloro-3,3,3-trifluoroprop-1-ene

Structural Information

Molecular Formula
C3H2ClF3
SMILES
C=C(C(F)(F)F)Cl
InChI
InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
InChIKey
OQISUJXQFPPARX-UHFFFAOYSA-N
Compound name
2-chloro-3,3,3-trifluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6079
Patents

129.9797 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.986976 114.5
[M+Na]+ 152.968918 124.5
[M-H]- 128.972424 111.5
[M+NH4]+ 148.013523 137.5
[M+K]+ 168.942858 121.9
[M+H-H2O]+ 112.976960 109.7
[M+HCOO]- 174.977901 129.4
[M+CH3COO]- 188.993551 170.0
[M+Na-2H]- 150.954366 120.7
[M]+ 129.97915142 110.9
[M]- 129.98024858 110.9
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