CID 71758680

1-(chloromethyl)-4-(propan-2-ylsulfanyl)benzene

Structural Information

Molecular Formula
C10H13ClS
SMILES
CC(C)SC1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H13ClS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
RVZMKOWZVXAGLT-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-propan-2-ylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

200.04265 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04993 139.2
[M+Na]+ 223.03187 147.8
[M-H]- 199.03537 143.2
[M+NH4]+ 218.07647 160.3
[M+K]+ 239.00581 143.4
[M+H-H2O]+ 183.03991 134.8
[M+HCOO]- 245.04085 152.6
[M+CH3COO]- 259.05650 184.1
[M+Na-2H]- 221.01732 141.4
[M]+ 200.04210 143.3
[M]- 200.04320 143.3
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