CID 2778679

1,1,1-trifluorobut-2-ene

Structural Information

Molecular Formula
C4H5F3
SMILES
CC=CC(F)(F)F
InChI
InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3
InChIKey
ICTYZHTZZOUENE-UHFFFAOYSA-N
Compound name
1,1,1-trifluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2531
Patents

110.03433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.04161 115.1
[M+Na]+ 133.02355 124.1
[M-H]- 109.02705 112.0
[M+NH4]+ 128.06815 138.2
[M+K]+ 148.99749 123.2
[M+H-H2O]+ 93.031590 109.2
[M+HCOO]- 155.03253 135.1
[M+CH3COO]- 169.04818 167.7
[M+Na-2H]- 131.00900 122.3
[M]+ 110.03378 110.5
[M]- 110.03488 110.5
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