CID 77545

2,4-difluorobenzonitrile

Structural Information

Molecular Formula
C7H3F2N
SMILES
C1=CC(=C(C=C1F)F)C#N
InChI
InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKey
LJFDXXUKKMEQKE-UHFFFAOYSA-N
Compound name
2,4-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2099
Patents

139.02336 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.030636 119.7
[M+Na]+ 162.012578 131.6
[M-H]- 138.016084 121.3
[M+NH4]+ 157.057183 139.6
[M+K]+ 177.986518 128.5
[M+H-H2O]+ 122.020620 106.8
[M+HCOO]- 184.021561 139.4
[M+CH3COO]- 198.037211 187.3
[M+Na-2H]- 159.998026 126.4
[M]+ 139.02281142 112.5
[M]- 139.02390858 112.5
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