CID 57695289

4-fluoro-2-isocyanato-1-methoxybenzene

Structural Information

Molecular Formula
C8H6FNO2
SMILES
COC1=C(C=C(C=C1)F)N=C=O
InChI
InChI=1S/C8H6FNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3
InChIKey
XJLIJWMMIGSMED-UHFFFAOYSA-N
Compound name
4-fluoro-2-isocyanato-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.03825 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04553 131.8
[M+Na]+ 190.02747 144.2
[M+NH4]+ 185.07207 139.5
[M+K]+ 206.00141 137.7
[M-H]- 166.03097 133.0
[M+Na-2H]- 188.01292 138.7
[M]+ 167.03770 133.7
[M]- 167.03880 133.7
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