CID 2736870

2,6-dichloro-4-(trifluoromethyl)benzonitrile

Structural Information

Molecular Formula
C8H2Cl2F3N
SMILES
C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F
InChI
InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChIKey
NCXSSFQXQAOREM-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

238.95164 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.95892 138.2
[M+Na]+ 261.94086 152.2
[M-H]- 237.94436 138.3
[M+NH4]+ 256.98546 156.0
[M+K]+ 277.91480 145.7
[M+H-H2O]+ 221.94890 126.5
[M+HCOO]- 283.94984 146.8
[M+CH3COO]- 297.96549 200.7
[M+Na-2H]- 259.92631 142.5
[M]+ 238.95109 133.0
[M]- 238.95219 133.0
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