CID 122235904

1936185-02-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 130.1
[M+Na]+ 196.02029 139.5
[M-H]- 172.02379 133.2
[M+NH4]+ 191.06489 150.9
[M+K]+ 211.99423 136.1
[M+H-H2O]+ 156.02833 124.0
[M+HCOO]- 218.02927 148.9
[M+CH3COO]- 232.04492 178.4
[M+Na-2H]- 194.00574 135.6
[M]+ 173.03052 129.4
[M]- 173.03162 129.4
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