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]+ 152.061856 129.8
[M+Na]+ 174.043798 139.8
[M-H]- 150.047304 131.8
[M+NH4]+ 169.088403 148.2
[M+K]+ 190.017738 137.1
[M+H-H2O]+ 134.051840 116.8
[M+HCOO]- 196.052781 151.4
[M+CH3COO]- 210.068431 192.9
[M+Na-2H]- 172.029246 135.8
[M]+ 151.05403142 121.2
[M]- 151.05512858 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