CID 12937208

1-methylidene-4-(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C8H11F3
SMILES
C=C1CCC(CC1)C(F)(F)F
InChI
InChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h7H,1-5H2
InChIKey
ZXYTYRCNWYFWDG-UHFFFAOYSA-N
Compound name
1-methylidene-4-(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

164.08128 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08856 131.4
[M+Na]+ 187.07050 138.0
[M-H]- 163.07400 130.6
[M+NH4]+ 182.11510 152.1
[M+K]+ 203.04444 135.7
[M+H-H2O]+ 147.07854 124.2
[M+HCOO]- 209.07948 147.4
[M+CH3COO]- 223.09513 177.7
[M+Na-2H]- 185.05595 135.3
[M]+ 164.08073 122.1
[M]- 164.08183 122.1
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