CID 2759105

1-fluoro-3-isocyanobenzene

Structural Information

Molecular Formula
C7H4FN
SMILES
[C-]#[N+]C1=CC(=CC=C1)F
InChI
InChI=1S/C7H4FN/c1-9-7-4-2-3-6(8)5-7/h2-5H
InChIKey
GQKWLGUUHHQIQJ-UHFFFAOYSA-N
Compound name
1-fluoro-3-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

121.032776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04005 124.0
[M+Na]+ 144.02199 134.8
[M-H]- 120.02550 125.2
[M+NH4]+ 139.06660 143.5
[M+K]+ 159.99593 126.9
[M+H-H2O]+ 104.03004 116.5
[M+HCOO]- 166.03098 143.7
[M+CH3COO]- 180.04663 175.3
[M+Na-2H]- 142.00744 132.1
[M]+ 121.03223 114.4
[M]- 121.03332 114.4
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