CID 137964206

(2e)-1,1,1-trifluoro-4,4-dimethoxypent-2-ene

Structural Information

Molecular Formula
C7H11F3O2
SMILES
CC(/C=C/C(F)(F)F)(OC)OC
InChI
InChI=1S/C7H11F3O2/c1-6(11-2,12-3)4-5-7(8,9)10/h4-5H,1-3H3/b5-4+
InChIKey
OVKBRBNMHZMHNH-SNAWJCMRSA-N
Compound name
(E)-1,1,1-trifluoro-4,4-dimethoxypent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07112 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.078396 135.4
[M+Na]+ 207.060338 143.7
[M-H]- 183.063844 132.1
[M+NH4]+ 202.104943 155.6
[M+K]+ 223.034278 143.1
[M+H-H2O]+ 167.068380 129.2
[M+HCOO]- 229.069321 153.3
[M+CH3COO]- 243.084971 181.0
[M+Na-2H]- 205.045786 141.8
[M]+ 184.07057142 134.4
[M]- 184.07166858 134.4
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.