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

27
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.