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]+ 169.05719 131.4
[M+Na]+ 191.03913 141.7
[M-H]- 167.04263 132.2
[M+NH4]+ 186.08373 149.4
[M+K]+ 207.01307 138.6
[M+H-H2O]+ 151.04717 117.9
[M+HCOO]- 213.04811 150.1
[M+CH3COO]- 227.06376 194.4
[M+Na-2H]- 189.02458 135.2
[M]+ 168.04936 122.2
[M]- 168.05046 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