CID 57857971

1085526-17-5

Structural Information

Molecular Formula
C7H8FNOS
SMILES
CS(=N)(=O)C1=CC=CC=C1F
InChI
InChI=1S/C7H8FNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
UZVOTLOTIZBCCI-UHFFFAOYSA-N
Compound name
(2-fluorophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

173.03107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03835 133.8
[M+Na]+ 196.02029 144.8
[M+NH4]+ 191.06489 141.9
[M+K]+ 211.99423 137.4
[M-H]- 172.02379 134.5
[M+Na-2H]- 194.00574 139.9
[M]+ 173.03052 135.9
[M]- 173.03162 135.9
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