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]+ 161.023096 122.9
[M+Na]+ 183.005038 134.1
[M-H]- 159.008544 125.3
[M+NH4]+ 178.049643 145.2
[M+K]+ 198.978978 131.1
[M+H-H2O]+ 143.013080 116.5
[M+HCOO]- 205.014021 140.6
[M+CH3COO]- 219.029671 178.1
[M+Na-2H]- 180.990486 125.7
[M]+ 160.01527142 123.2
[M]- 160.01636858 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