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

296
Patents

160.01582 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02310 125.3
[M+Na]+ 183.00504 133.7
[M-H]- 159.00854 126.7
[M+NH4]+ 178.04964 146.6
[M+K]+ 198.97898 131.0
[M+H-H2O]+ 143.01308 118.3
[M+HCOO]- 205.01402 142.1
[M+CH3COO]- 219.02967 175.7
[M+Na-2H]- 180.99049 128.9
[M]+ 160.01527 123.9
[M]- 160.01637 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