CID 10920925

2,5-difluoro-4-hydrazinylbenzonitrile

Structural Information

Molecular Formula
C7H5F2N3
SMILES
C1=C(C(=CC(=C1F)NN)F)C#N
InChI
InChI=1S/C7H5F2N3/c8-5-2-7(12-11)6(9)1-4(5)3-10/h1-2,12H,11H2
InChIKey
PCCAOKUPWXCHHG-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-hydrazinylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

169.04515 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05243 130.5
[M+Na]+ 192.03437 141.2
[M-H]- 168.03787 131.5
[M+NH4]+ 187.07897 148.4
[M+K]+ 208.00831 138.3
[M+H-H2O]+ 152.04241 116.8
[M+HCOO]- 214.04335 151.1
[M+CH3COO]- 228.05900 196.5
[M+Na-2H]- 190.01982 135.4
[M]+ 169.04460 121.2
[M]- 169.04570 121.2
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