CID 14699598

2-fluoro-4-hydrazinylbenzonitrile

Structural Information

Molecular Formula
C7H6FN3
SMILES
C1=CC(=C(C=C1NN)F)C#N
InChI
InChI=1S/C7H6FN3/c8-7-3-6(11-10)2-1-5(7)4-9/h1-3,11H,10H2
InChIKey
XKDHTIZJANLUPZ-UHFFFAOYSA-N
Compound name
2-fluoro-4-hydrazinylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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

literature stripe

Patent stripe

patents stripe