CID 2761446

4-chloro-2-fluorobenzyl mercaptan

Structural Information

Molecular Formula
C7H6ClFS
SMILES
C1=CC(=C(C=C1Cl)F)CS
InChI
InChI=1S/C7H6ClFS/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
OVCDKLGNZSQXES-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluorophenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

175.98628 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99356 130.1
[M+Na]+ 198.97550 144.4
[M+NH4]+ 194.02010 140.4
[M+K]+ 214.94944 134.5
[M-H]- 174.97900 132.4
[M+Na-2H]- 196.96095 137.4
[M]+ 175.98573 133.7
[M]- 175.98683 133.7
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