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

10584
Patents

129.9797 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.986976 115.2
[M+Na]+ 152.968918 125.3
[M-H]- 128.972424 112.1
[M+NH4]+ 148.013523 138.2
[M+K]+ 168.942858 122.4
[M+H-H2O]+ 112.976960 110.2
[M+HCOO]- 174.977901 130.9
[M+CH3COO]- 188.993551 168.6
[M+Na-2H]- 150.954366 122.5
[M]+ 129.97915142 112.0
[M]- 129.98024858 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

literature stripe

Patent stripe

patents stripe