CID 20237364

2-chloro-4-methylbenzenethiol

Structural Information

Molecular Formula
C7H7ClS
SMILES
CC1=CC(=C(C=C1)S)Cl
InChI
InChI=1S/C7H7ClS/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
NOLVGFCNAIAJNR-UHFFFAOYSA-N
Compound name
2-chloro-4-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

157.9957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00298 127.9
[M+Na]+ 180.98492 143.2
[M+NH4]+ 176.02952 139.0
[M+K]+ 196.95886 133.1
[M-H]- 156.98842 131.8
[M+Na-2H]- 178.97037 135.9
[M]+ 157.99515 132.2
[M]- 157.99625 132.2
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