CID 2734801

1-fluoro-4-isocyanobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

244
Patents

121.032776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04005 121.5
[M+Na]+ 144.02199 135.9
[M+NH4]+ 139.06660 127.7
[M+K]+ 159.99593 127.2
[M-H]- 120.02550 116.9
[M+Na-2H]- 142.00744 126.9
[M]+ 121.03223 121.5
[M]- 121.03332 121.5
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