CID 25217462

1121527-69-2

Structural Information

Molecular Formula
C10H7Cl2NO2S
SMILES
CC1=CC(=C2C=CC=C(C2=N1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO2S/c1-6-5-8(11)7-3-2-4-9(10(7)13-6)16(12,14)15/h2-5H,1H3
InChIKey
GYHCPIZEUGCWNH-UHFFFAOYSA-N
Compound name
4-chloro-2-methylquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

274.95746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96474 151.0
[M+Na]+ 297.94668 163.8
[M-H]- 273.95018 155.0
[M+NH4]+ 292.99128 169.5
[M+K]+ 313.92062 157.8
[M+H-H2O]+ 257.95472 146.9
[M+HCOO]- 319.95566 158.3
[M+CH3COO]- 333.97131 192.8
[M+Na-2H]- 295.93213 156.5
[M]+ 274.95691 157.9
[M]- 274.95801 157.9
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