CID 167725654

[cyclopropyl(4-fluorophenyl)imino-lambda6-sulfanyl]one

Structural Information

Molecular Formula
C9H10FNOS
SMILES
C1CC1S(=N)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H10FNOS/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9,11H,5-6H2
InChIKey
YAWMNIQLBQRICM-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-fluorophenyl)-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05398 132.2
[M+Na]+ 222.03592 142.2
[M-H]- 198.03942 138.9
[M+NH4]+ 217.08052 147.0
[M+K]+ 238.00986 137.8
[M+H-H2O]+ 182.04396 125.1
[M+HCOO]- 244.04490 151.2
[M+CH3COO]- 258.06055 186.2
[M+Na-2H]- 220.02137 137.8
[M]+ 199.04615 133.5
[M]- 199.04725 133.5
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

No patent data available for this compound.