CID 133083186

2083617-82-5

Structural Information

Molecular Formula
C12H4F2N2O
SMILES
C1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)F)F
InChI
InChI=1S/C12H4F2N2O/c13-10-1-8-7(6(4-15)5-16)3-12(17)9(8)2-11(10)14/h1-2H,3H2
InChIKey
FKMLTPDJPCYVHT-UHFFFAOYSA-N
Compound name
2-(5,6-difluoro-3-oxoinden-1-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

230.02917 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03645 158.2
[M+Na]+ 253.01839 170.4
[M-H]- 229.02189 160.6
[M+NH4]+ 248.06299 172.0
[M+K]+ 268.99233 163.2
[M+H-H2O]+ 213.02643 142.6
[M+HCOO]- 275.02737 168.8
[M+CH3COO]- 289.04302 220.4
[M+Na-2H]- 251.00384 157.6
[M]+ 230.02862 148.3
[M]- 230.02972 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe