CID 12571129

1138-54-1

Structural Information

Molecular Formula
C10H13ClO3S
SMILES
CC(C)COC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO3S/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13/h3-6,8H,7H2,1-2H3
InChIKey
NHXWTFAPVNWYJI-UHFFFAOYSA-N
Compound name
4-(2-methylpropoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

248.02739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03467 149.0
[M+Na]+ 271.01661 158.0
[M-H]- 247.02011 153.3
[M+NH4]+ 266.06121 167.9
[M+K]+ 286.99055 154.3
[M+H-H2O]+ 231.02465 144.5
[M+HCOO]- 293.02559 161.9
[M+CH3COO]- 307.04124 188.7
[M+Na-2H]- 269.00206 152.1
[M]+ 248.02684 155.5
[M]- 248.02794 155.5
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