CID 379836

2,3-didehydro-3,4,4-trifluorotricyclo(4.2.1.0(sup 2,5))nonane

Structural Information

Molecular Formula
C9H9F3
SMILES
C1CC2CC1C3C2=C(C3(F)F)F
InChI
InChI=1S/C9H9F3/c10-8-6-4-1-2-5(3-4)7(6)9(8,11)12/h4-5,7H,1-3H2
InChIKey
QLYYIJDGWYWZHG-UHFFFAOYSA-N
Compound name
3,4,4-trifluorotricyclo[4.2.1.02,5]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06563 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.072906 131.6
[M+Na]+ 197.054848 141.8
[M-H]- 173.058354 133.2
[M+NH4]+ 192.099453 154.2
[M+K]+ 213.028788 140.4
[M+H-H2O]+ 157.062890 122.8
[M+HCOO]- 219.063831 149.5
[M+CH3COO]- 233.079481 185.7
[M+Na-2H]- 195.040296 135.4
[M]+ 174.06508142 137.4
[M]- 174.06617858 137.4
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.