CID 59249629

Ec 806-533-2

Structural Information

Molecular Formula
C15H7Cl2F2N
SMILES
C1=CC(=C(C(=C1)Cl)F)/C=C(\C#N)/C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C15H7Cl2F2N/c16-11-4-5-12(14(18)7-11)10(8-20)6-9-2-1-3-13(17)15(9)19/h1-7H/b10-6+
InChIKey
DISXSBPTEJLPGY-UXBLZVDNSA-N
Compound name
(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

308.99237 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.99965 163.0
[M+Na]+ 331.98159 176.7
[M-H]- 307.98509 165.9
[M+NH4]+ 327.02619 177.9
[M+K]+ 347.95553 166.7
[M+H-H2O]+ 291.98963 149.9
[M+HCOO]- 353.99057 172.3
[M+CH3COO]- 368.00622 213.3
[M+Na-2H]- 329.96704 163.9
[M]+ 308.99182 158.9
[M]- 308.99292 158.9
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