CID 71758288

2-(3,4-dichlorophenyl)-2,2-difluoroacetonitrile

Structural Information

Molecular Formula
C8H3Cl2F2N
SMILES
C1=CC(=C(C=C1C(C#N)(F)F)Cl)Cl
InChI
InChI=1S/C8H3Cl2F2N/c9-6-2-1-5(3-7(6)10)8(11,12)4-13/h1-3H
InChIKey
RDWQDPNRXQBAEB-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2,2-difluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.96106 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96834 138.4
[M+Na]+ 243.95028 151.6
[M-H]- 219.95378 139.4
[M+NH4]+ 238.99488 156.6
[M+K]+ 259.92422 145.2
[M+H-H2O]+ 203.95832 127.3
[M+HCOO]- 265.95926 147.9
[M+CH3COO]- 279.97491 197.8
[M+Na-2H]- 241.93573 143.7
[M]+ 220.96051 134.0
[M]- 220.96161 134.0
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

No patent data available for this compound.