CID 8027153

3-amino-2,6-difluorobenzonitrile

Structural Information

Molecular Formula
C7H4F2N2
SMILES
C1=CC(=C(C(=C1N)F)C#N)F
InChI
InChI=1S/C7H4F2N2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,11H2
InChIKey
RXLFDOQOCRNACG-UHFFFAOYSA-N
Compound name
3-amino-2,6-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

154.03426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04154 125.6
[M+Na]+ 177.02348 137.4
[M-H]- 153.02698 126.9
[M+NH4]+ 172.06808 144.6
[M+K]+ 192.99742 134.3
[M+H-H2O]+ 137.03152 112.6
[M+HCOO]- 199.03246 145.6
[M+CH3COO]- 213.04811 192.0
[M+Na-2H]- 175.00893 130.6
[M]+ 154.03371 117.1
[M]- 154.03481 117.1
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