CID 45050981

2-(5-fluoro-2,3-dihydro-1h-inden-1-ylidene)malononitrile

Structural Information

Molecular Formula
C12H7FN2
SMILES
C1CC(=C(C#N)C#N)C2=C1C=C(C=C2)F
InChI
InChI=1S/C12H7FN2/c13-10-2-4-11-8(5-10)1-3-12(11)9(6-14)7-15/h2,4-5H,1,3H2
InChIKey
WTHRDUBAHUTTDW-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05933 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06661 157.5
[M+Na]+ 221.04855 168.8
[M-H]- 197.05205 160.4
[M+NH4]+ 216.09315 172.1
[M+K]+ 237.02249 161.3
[M+H-H2O]+ 181.05659 142.1
[M+HCOO]- 243.05753 168.5
[M+CH3COO]- 257.07318 216.4
[M+Na-2H]- 219.03400 158.0
[M]+ 198.05878 147.5
[M]- 198.05988 147.5
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

No patent data available for this compound.