CID 16790478

2-amino-2-(3,4-difluorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H6F2N2
SMILES
C1=CC(=C(C=C1C(C#N)N)F)F
InChI
InChI=1S/C8H6F2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2
InChIKey
ZGIGPLHROHZCPO-UHFFFAOYSA-N
Compound name
2-amino-2-(3,4-difluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

168.04991 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.057186 131.4
[M+Na]+ 191.039128 141.7
[M-H]- 167.042634 132.2
[M+NH4]+ 186.083733 149.4
[M+K]+ 207.013068 138.6
[M+H-H2O]+ 151.047170 117.9
[M+HCOO]- 213.048111 150.1
[M+CH3COO]- 227.063761 194.4
[M+Na-2H]- 189.024576 135.2
[M]+ 168.04936142 122.2
[M]- 168.05045858 122.2
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