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 121.2
[M+Na]+ 165.01447 131.6
[M-H]- 141.01797 124.8
[M+NH4]+ 160.05907 144.1
[M+K]+ 180.98841 129.0
[M+H-H2O]+ 125.02251 115.6
[M+HCOO]- 187.02345 140.1
[M+CH3COO]- 201.03910 174.2
[M+Na-2H]- 162.99992 125.2
[M]+ 142.02470 122.3
[M]- 142.02580 122.3
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