CID 24695488

4-fluoro-3-methylbenzene-1-carbothioamide

Structural Information

Molecular Formula
C8H8FNS
SMILES
CC1=C(C=CC(=C1)C(=S)N)F
InChI
InChI=1S/C8H8FNS/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKey
GTDSYOIDNUFACN-UHFFFAOYSA-N
Compound name
4-fluoro-3-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.03615 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04343 133.2
[M+Na]+ 192.02537 144.5
[M+NH4]+ 187.06997 142.0
[M+K]+ 207.99931 136.6
[M-H]- 168.02887 134.9
[M+Na-2H]- 190.01082 138.8
[M]+ 169.03560 135.6
[M]- 169.03670 135.6
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.