CID 91874453

1805063-31-3

Structural Information

Molecular Formula
C7H6F2S
SMILES
CC1=CC(=CC(=C1S)F)F
InChI
InChI=1S/C7H6F2S/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
SCCHEHGYJULPOY-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 122.9
[M+Na]+ 183.00504 134.1
[M-H]- 159.00854 125.3
[M+NH4]+ 178.04964 145.2
[M+K]+ 198.97898 131.1
[M+H-H2O]+ 143.01308 116.5
[M+HCOO]- 205.01402 140.6
[M+CH3COO]- 219.02967 178.1
[M+Na-2H]- 180.99049 125.7
[M]+ 160.01527 123.2
[M]- 160.01637 123.2
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