CID 53716

77694-28-1

Structural Information

Molecular Formula
C13H14ClNO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H14ClNO3/c1-13(2)7-10(12(17)18-13)15-11(16)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey
FRVXCGFGNRRTFN-UHFFFAOYSA-N
Compound name
4-chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06622 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07350 157.7
[M+Na]+ 290.05544 166.5
[M-H]- 266.05894 165.5
[M+NH4]+ 285.10004 177.4
[M+K]+ 306.02938 163.5
[M+H-H2O]+ 250.06348 153.0
[M+HCOO]- 312.06442 175.9
[M+CH3COO]- 326.08007 196.0
[M+Na-2H]- 288.04089 160.7
[M]+ 267.06567 160.1
[M]- 267.06677 160.1
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.