CID 18372004

202195-71-9

Structural Information

Molecular Formula
C8H4ClNO3
SMILES
C1=C(C=C(C2=C1OC=N2)Cl)C(=O)O
InChI
InChI=1S/C8H4ClNO3/c9-5-1-4(8(11)12)2-6-7(5)10-3-13-6/h1-3H,(H,11,12)
InChIKey
ZVWBBGUDNVEPTF-UHFFFAOYSA-N
Compound name
4-chloro-1,3-benzoxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

196.98798 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99526 133.5
[M+Na]+ 219.97720 145.9
[M-H]- 195.98070 137.3
[M+NH4]+ 215.02180 153.7
[M+K]+ 235.95114 143.0
[M+H-H2O]+ 179.98524 128.8
[M+HCOO]- 241.98618 152.0
[M+CH3COO]- 256.00183 177.8
[M+Na-2H]- 217.96265 141.2
[M]+ 196.98743 139.1
[M]- 196.98853 139.1
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

patents stripe