CID 55266476

635311-89-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

173.03107 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe