CID 3044532

Brn 1122362

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCO
InChI
InChI=1S/C11H12ClNO3/c1-7-11(15)13(4-5-14)9-6-8(12)2-3-10(9)16-7/h2-3,6-7,14H,4-5H2,1H3
InChIKey
PBHXNKXMZJNIFN-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05057 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 149.4
[M+Na]+ 264.03979 159.6
[M-H]- 240.04329 152.1
[M+NH4]+ 259.08439 166.3
[M+K]+ 280.01373 156.1
[M+H-H2O]+ 224.04783 143.8
[M+HCOO]- 286.04877 162.7
[M+CH3COO]- 300.06442 189.4
[M+Na-2H]- 262.02524 154.9
[M]+ 241.05002 152.4
[M]- 241.05112 152.4
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

No patent data available for this compound.