CID 79980913

(4-cyclopropylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1CC1C2=CC=C(C=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7H2
InChIKey
ACXMSQQWIKYWTM-UHFFFAOYSA-N
Compound name
(4-cyclopropylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

230.01683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 140.6
[M+Na]+ 253.00605 151.3
[M-H]- 229.00955 148.4
[M+NH4]+ 248.05065 155.3
[M+K]+ 268.97999 146.4
[M+H-H2O]+ 213.01409 135.2
[M+HCOO]- 275.01503 155.1
[M+CH3COO]- 289.03068 187.5
[M+Na-2H]- 250.99150 145.3
[M]+ 230.01628 147.1
[M]- 230.01738 147.1
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