CID 2757353

678185-73-4

Structural Information

Molecular Formula
C12H17ClN2O3S
SMILES
CCCCNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)Cl)C
InChI
InChI=1S/C12H17ClN2O3S/c1-3-4-7-14-12(16)15-10-5-6-11(9(2)8-10)19(13,17)18/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)
InChIKey
SQAXKSRGKWAYEX-UHFFFAOYSA-N
Compound name
4-(butylcarbamoylamino)-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06485 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07213 166.4
[M+Na]+ 327.05407 173.8
[M-H]- 303.05757 170.3
[M+NH4]+ 322.09867 182.5
[M+K]+ 343.02801 168.8
[M+H-H2O]+ 287.06211 160.8
[M+HCOO]- 349.06305 180.6
[M+CH3COO]- 363.07870 203.6
[M+Na-2H]- 325.03952 168.7
[M]+ 304.06430 171.5
[M]- 304.06540 171.5
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

No patent data available for this compound.