CID 59575033

912482-15-6

Structural Information

Molecular Formula
C16F6N4
SMILES
C(#N)C(=C1C(=C2C(=C(C(=C(C#N)C#N)C(=C2F)F)F)C(=C1F)F)F)C#N
InChI
InChI=1S/C16F6N4/c17-11-7(5(1-23)2-24)13(19)15(21)10-9(11)16(22)14(20)8(12(10)18)6(3-25)4-26
InChIKey
LQXFOLBBQWZYNH-UHFFFAOYSA-N
Compound name
2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2114
Patents

362.00272 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01000 162.7
[M+Na]+ 384.99194 168.0
[M-H]- 360.99544 164.7
[M+NH4]+ 380.03654 165.4
[M+K]+ 400.96588 164.8
[M+H-H2O]+ 344.99998 154.0
[M+HCOO]- 407.00092 163.0
[M+CH3COO]- 421.01657 251.8
[M+Na-2H]- 382.97739 159.0
[M]+ 362.00217 156.0
[M]- 362.00327 156.0
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