CID 3041679

Brn 1077253

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1C(OC2=NC3=CC=CC=C3N21)CCl
InChI
InChI=1S/C10H9ClN2O/c11-5-7-6-13-9-4-2-1-3-8(9)12-10(13)14-7/h1-4,7H,5-6H2
InChIKey
YSGOIQDFYVPYEB-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 141.8
[M+Na]+ 231.029558 154.2
[M-H]- 207.033064 145.8
[M+NH4]+ 226.074163 163.6
[M+K]+ 247.003498 150.5
[M+H-H2O]+ 191.037600 135.7
[M+HCOO]- 253.038541 159.2
[M+CH3COO]- 267.054191 156.1
[M+Na-2H]- 229.015006 148.2
[M]+ 208.03979142 146.8
[M]- 208.04088858 146.8
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.