CID 2758360

130922-40-6

Structural Information

Molecular Formula
C7H6F2S
SMILES
CSC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C7H6F2S/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
JJNSBHOSUJNKBJ-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

160.01582 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02310 130.5
[M+Na]+ 183.00504 142.7
[M+NH4]+ 178.04964 139.4
[M+K]+ 198.97898 133.8
[M-H]- 159.00854 131.1
[M+Na-2H]- 180.99049 136.6
[M]+ 160.01527 132.8
[M]- 160.01637 132.8
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