CID 2764454

5-chloro-6-nitro-1,3-benzoxazole

Structural Information

Molecular Formula
C7H3ClN2O3
SMILES
C1=C2C(=CC(=C1Cl)[N+](=O)[O-])OC=N2
InChI
InChI=1S/C7H3ClN2O3/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H
InChIKey
KYZBUAFFLVOXMM-UHFFFAOYSA-N
Compound name
5-chloro-6-nitro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

197.98322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99050 134.3
[M+Na]+ 220.97244 145.6
[M-H]- 196.97594 139.0
[M+NH4]+ 216.01704 154.0
[M+K]+ 236.94638 139.4
[M+H-H2O]+ 180.98048 133.7
[M+HCOO]- 242.98142 155.9
[M+CH3COO]- 256.99707 174.7
[M+Na-2H]- 218.95789 145.2
[M]+ 197.98267 138.4
[M]- 197.98377 138.4
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