CID 585887

14213-19-5

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC(=CC=C1NC#N)F
InChI
InChI=1S/C7H5FN2/c8-6-1-3-7(4-2-6)10-5-9/h1-4,10H
InChIKey
LIBMQHFYQQYKQQ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

136.04367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.050946 124.5
[M+Na]+ 159.032888 134.7
[M-H]- 135.036394 126.8
[M+NH4]+ 154.077493 143.8
[M+K]+ 175.006828 131.9
[M+H-H2O]+ 119.040930 111.7
[M+HCOO]- 181.041871 145.9
[M+CH3COO]- 195.057521 188.1
[M+Na-2H]- 157.018336 132.1
[M]+ 136.04312142 117.3
[M]- 136.04421858 117.3
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