CID 2759040

3-fluoro-4-methylthiophenol

Structural Information

Molecular Formula
C7H7FS
SMILES
CC1=C(C=C(C=C1)S)F
InChI
InChI=1S/C7H7FS/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey
NLIOVTBTQHQXHO-UHFFFAOYSA-N
Compound name
3-fluoro-4-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

142.02525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03253 125.6
[M+Na]+ 165.01447 139.1
[M+NH4]+ 160.05907 135.7
[M+K]+ 180.98841 130.0
[M-H]- 141.01797 127.9
[M+Na-2H]- 162.99992 132.7
[M]+ 142.02470 128.8
[M]- 142.02580 128.8
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