CID 119030848

5-cyano-6-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
CC1=C(C=C(C=N1)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C7H5ClN2O2S/c1-5-6(3-9)2-7(4-10-5)13(8,11)12/h2,4H,1H3
InChIKey
GOTJWEAPYXTIRB-UHFFFAOYSA-N
Compound name
5-cyano-6-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.97603 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98331 146.6
[M+Na]+ 238.96525 159.7
[M-H]- 214.96875 150.2
[M+NH4]+ 234.00985 163.9
[M+K]+ 254.93919 155.8
[M+H-H2O]+ 198.97329 135.3
[M+HCOO]- 260.97423 157.0
[M+CH3COO]- 274.98988 193.9
[M+Na-2H]- 236.95070 150.6
[M]+ 215.97548 146.2
[M]- 215.97658 146.2
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