CID 12930701

3289-22-3

Structural Information

Molecular Formula
C11H6F6N2
SMILES
C1C2C=CC1C(C2(C#N)C#N)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)9(11(15,16)17)7-2-1-6(3-7)8(9,4-18)5-19/h1-2,6-7H,3H2
InChIKey
SVUFHPXBRBWPIA-UHFFFAOYSA-N
Compound name
3,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.04352 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05080 159.5
[M+Na]+ 303.03274 172.3
[M-H]- 279.03624 158.2
[M+NH4]+ 298.07734 175.9
[M+K]+ 319.00668 163.7
[M+H-H2O]+ 263.04078 143.9
[M+HCOO]- 325.04172 165.9
[M+CH3COO]- 339.05737 224.3
[M+Na-2H]- 301.01819 161.4
[M]+ 280.04297 147.0
[M]- 280.04407 147.0
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