CID 73752

1535-67-7

Structural Information

Molecular Formula
C7H6F2S
SMILES
C1=CC=C(C=C1)SC(F)F
InChI
InChI=1S/C7H6F2S/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKey
KDNBCPHMQJEQLV-UHFFFAOYSA-N
Compound name
difluoromethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

276
Patents

160.01582 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.023096 125.3
[M+Na]+ 183.005038 133.7
[M-H]- 159.008544 126.7
[M+NH4]+ 178.049643 146.6
[M+K]+ 198.978978 131.0
[M+H-H2O]+ 143.013080 118.3
[M+HCOO]- 205.014021 142.1
[M+CH3COO]- 219.029671 175.7
[M+Na-2H]- 180.990486 128.9
[M]+ 160.01527142 123.9
[M]- 160.01636858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe