CID 2783400

4-chloro-1,1,2-trifluoro-1-butene

Structural Information

Molecular Formula
C4H4ClF3
SMILES
C(CCl)C(=C(F)F)F
InChI
InChI=1S/C4H4ClF3/c5-2-1-3(6)4(7)8/h1-2H2
InChIKey
RRHUKZXPIZGLJG-UHFFFAOYSA-N
Compound name
4-chloro-1,1,2-trifluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

143.99536 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00264 119.7
[M+Na]+ 166.98458 128.4
[M-H]- 142.98808 116.2
[M+NH4]+ 162.02918 141.8
[M+K]+ 182.95852 125.7
[M+H-H2O]+ 126.99262 114.1
[M+HCOO]- 188.99356 134.7
[M+CH3COO]- 203.00921 173.6
[M+Na-2H]- 164.97003 123.4
[M]+ 143.99481 116.3
[M]- 143.99591 116.3
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