CID 22235201

Cloransulam

Structural Information

Molecular Formula
C14H11ClFN5O5S
SMILES
CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)O)F
InChI
InChI=1S/C14H11ClFN5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)
InChIKey
YIANBKOBVRMNPR-UHFFFAOYSA-N
Compound name
3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11218
Patents

415.01535 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.02263 187.0
[M+Na]+ 438.00457 199.3
[M-H]- 414.00807 189.2
[M+NH4]+ 433.04917 195.6
[M+K]+ 453.97851 193.4
[M+H-H2O]+ 398.01261 178.7
[M+HCOO]- 460.01355 195.8
[M+CH3COO]- 474.02920 218.6
[M+Na-2H]- 435.99002 190.3
[M]+ 415.01480 195.6
[M]- 415.01590 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe