CID 17802324

2-chloro-4-methoxybenzene-1-thiol

Structural Information

Molecular Formula
C7H7ClOS
SMILES
COC1=CC(=C(C=C1)S)Cl
InChI
InChI=1S/C7H7ClOS/c1-9-5-2-3-7(10)6(8)4-5/h2-4,10H,1H3
InChIKey
MHEVJFMRUJDOHH-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

173.99062 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99790 131.1
[M+Na]+ 196.97984 145.9
[M+NH4]+ 192.02444 141.7
[M+K]+ 212.95378 136.4
[M-H]- 172.98334 134.5
[M+Na-2H]- 194.96529 138.7
[M]+ 173.99007 135.1
[M]- 173.99117 135.1
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