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

93
Patents

134.03433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.041606 114.4
[M+Na]+ 157.023548 130.7
[M-H]- 133.027054 116.9
[M+NH4]+ 152.068153 133.0
[M+K]+ 172.997488 125.5
[M+H-H2O]+ 117.031590 105.0
[M+HCOO]- 179.032531 130.7
[M+CH3COO]- 193.048181 184.1
[M+Na-2H]- 155.008996 123.5
[M]+ 134.03378142 109.5
[M]- 134.03487858 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