CID 5709018

102687-65-0

Structural Information

Molecular Formula
C3H2ClF3
SMILES
C(=C/Cl)\C(F)(F)F
InChI
InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+
InChIKey
LDTMPQQAWUMPKS-OWOJBTEDSA-N
Compound name
(E)-1-chloro-3,3,3-trifluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

10400
Patents

129.9797 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.98698 115.2
[M+Na]+ 152.96892 125.3
[M-H]- 128.97242 112.1
[M+NH4]+ 148.01352 138.2
[M+K]+ 168.94286 122.4
[M+H-H2O]+ 112.97696 110.2
[M+HCOO]- 174.97790 130.9
[M+CH3COO]- 188.99355 168.6
[M+Na-2H]- 150.95437 122.5
[M]+ 129.97915 112.0
[M]- 129.98025 112.0
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

No patent data available for this compound.