CID 21029569

3-fluoro-4-(methylamino)benzonitrile

Structural Information

Molecular Formula
C8H7FN2
SMILES
CNC1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKey
SNOXQSJLHWBCBF-UHFFFAOYSA-N
Compound name
3-fluoro-4-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

150.05933 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.066606 128.3
[M+Na]+ 173.048548 139.0
[M-H]- 149.052054 130.8
[M+NH4]+ 168.093153 147.5
[M+K]+ 189.022488 136.1
[M+H-H2O]+ 133.056590 115.6
[M+HCOO]- 195.057531 149.4
[M+CH3COO]- 209.073181 191.8
[M+Na-2H]- 171.033996 134.8
[M]+ 150.05878142 121.7
[M]- 150.05987858 121.7
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