CID 13238010

2-fluoro-4-isothiocyanato-1-methoxybenzene

Structural Information

Molecular Formula
C8H6FNOS
SMILES
COC1=C(C=C(C=C1)N=C=S)F
InChI
InChI=1S/C8H6FNOS/c1-11-8-3-2-6(10-5-12)4-7(8)9/h2-4H,1H3
InChIKey
VQKFGMVWRAHVCT-UHFFFAOYSA-N
Compound name
2-fluoro-4-isothiocyanato-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.01541 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02269 132.1
[M+Na]+ 206.00463 142.2
[M-H]- 182.00813 136.7
[M+NH4]+ 201.04923 153.4
[M+K]+ 221.97857 139.1
[M+H-H2O]+ 166.01267 125.3
[M+HCOO]- 228.01361 153.7
[M+CH3COO]- 242.02926 184.1
[M+Na-2H]- 203.99008 136.4
[M]+ 183.01486 134.5
[M]- 183.01596 134.5
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