CID 7018263

745783-73-7

Structural Information

Molecular Formula
C9H8FNO
SMILES
C[C@H](C1=CC=C(C=C1)F)N=C=O
InChI
InChI=1S/C9H8FNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChIKey
MUHCZVYPBWOTTJ-SSDOTTSWSA-N
Compound name
1-fluoro-4-[(1R)-1-isocyanatoethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

165.05899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 133.6
[M+Na]+ 188.04821 145.5
[M+NH4]+ 183.09281 141.6
[M+K]+ 204.02215 138.9
[M-H]- 164.05171 135.0
[M+Na-2H]- 186.03366 140.6
[M]+ 165.05844 135.5
[M]- 165.05954 135.5
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