CID 2757354

728864-72-0

Structural Information

Molecular Formula
C14H14ClNO3S
SMILES
CCCC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C14H14ClNO3S/c1-2-5-14(17)16-12-8-3-7-11-10(12)6-4-9-13(11)20(15,18)19/h3-4,6-9H,2,5H2,1H3,(H,16,17)
InChIKey
ZYWSRQWFHZXWGL-UHFFFAOYSA-N
Compound name
5-(butanoylamino)naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04558 165.8
[M+Na]+ 334.02752 174.8
[M-H]- 310.03102 170.7
[M+NH4]+ 329.07212 182.9
[M+K]+ 350.00146 169.2
[M+H-H2O]+ 294.03556 160.7
[M+HCOO]- 356.03650 178.5
[M+CH3COO]- 370.05215 202.7
[M+Na-2H]- 332.01297 170.5
[M]+ 311.03775 171.8
[M]- 311.03885 171.8
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.