CID 46391

64037-18-9

Structural Information

Molecular Formula
C9H6Cl2N2O2
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)NC(=O)CCl
InChI
InChI=1S/C9H6Cl2N2O2/c10-4-8(14)13-9-12-6-3-5(11)1-2-7(6)15-9/h1-3H,4H2,(H,12,13,14)
InChIKey
DDBLLZWYBUXMDY-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.98064 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98792 147.6
[M+Na]+ 266.96986 159.4
[M-H]- 242.97336 151.5
[M+NH4]+ 262.01446 166.5
[M+K]+ 282.94380 155.1
[M+H-H2O]+ 226.97790 142.4
[M+HCOO]- 288.97884 162.6
[M+CH3COO]- 302.99449 190.0
[M+Na-2H]- 264.95531 154.3
[M]+ 243.98009 154.0
[M]- 243.98119 154.0
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