CID 129251910

1-ethynyl-1-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C6H5F3
SMILES
C#CC1(CC1)C(F)(F)F
InChI
InChI=1S/C6H5F3/c1-2-5(3-4-5)6(7,8)9/h1H,3-4H2
InChIKey
ILQADGFBLIVHRC-UHFFFAOYSA-N
Compound name
1-ethynyl-1-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

134.03433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04161 114.4
[M+Na]+ 157.02355 130.7
[M-H]- 133.02705 116.9
[M+NH4]+ 152.06815 133.0
[M+K]+ 172.99749 125.5
[M+H-H2O]+ 117.03159 105.0
[M+HCOO]- 179.03253 130.7
[M+CH3COO]- 193.04818 184.1
[M+Na-2H]- 155.00900 123.5
[M]+ 134.03378 109.5
[M]- 134.03488 109.5
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