CID 3164162

878427-08-8

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
CC1(CC(=NO1)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H10ClNO3/c1-11(10(14)15)6-9(13-16-11)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,14,15)
InChIKey
ZRRIBPPHPPYNFM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 147.5
[M+Na]+ 262.02415 157.4
[M-H]- 238.02765 152.9
[M+NH4]+ 257.06875 166.5
[M+K]+ 277.99809 154.5
[M+H-H2O]+ 222.03219 142.2
[M+HCOO]- 284.03313 163.8
[M+CH3COO]- 298.04878 185.1
[M+Na-2H]- 260.00960 152.3
[M]+ 239.03438 150.3
[M]- 239.03548 150.3
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