CID 22762232

3-fluoro-4-hydrazinylbenzonitrile

Structural Information

Molecular Formula
C7H6FN3
SMILES
C1=CC(=C(C=C1C#N)F)NN
InChI
InChI=1S/C7H6FN3/c8-6-3-5(4-9)1-2-7(6)11-10/h1-3,11H,10H2
InChIKey
FEWJMEMEEABOOS-UHFFFAOYSA-N
Compound name
3-fluoro-4-hydrazinylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

151.05458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06186 129.8
[M+Na]+ 174.04380 139.8
[M-H]- 150.04730 131.8
[M+NH4]+ 169.08840 148.2
[M+K]+ 190.01774 137.1
[M+H-H2O]+ 134.05184 116.8
[M+HCOO]- 196.05278 151.4
[M+CH3COO]- 210.06843 192.9
[M+Na-2H]- 172.02925 135.8
[M]+ 151.05403 121.2
[M]- 151.05513 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