CID 71651683

2-amino-3,4-difluorobenzonitrile

Structural Information

Molecular Formula
C7H4F2N2
SMILES
C1=CC(=C(C(=C1C#N)N)F)F
InChI
InChI=1S/C7H4F2N2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-2H,11H2
InChIKey
JWKVPHWFIGYGRI-UHFFFAOYSA-N
Compound name
2-amino-3,4-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03426 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.041536 125.6
[M+Na]+ 177.023478 137.4
[M-H]- 153.026984 126.9
[M+NH4]+ 172.068083 144.6
[M+K]+ 192.997418 134.3
[M+H-H2O]+ 137.031520 112.6
[M+HCOO]- 199.032461 145.6
[M+CH3COO]- 213.048111 192.0
[M+Na-2H]- 175.008926 130.6
[M]+ 154.03371142 117.1
[M]- 154.03480858 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

No patent data available for this compound.