CID 602084

74405-07-5

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

CC1(N=C(C2=CC=CC=C2O1)Cl)C

InChI

InChI=1S/C10H10ClNO/c1-10(2)12-9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3

InChIKey

FKSOZOHKBSIGTI-UHFFFAOYSA-N

Compound name

4-chloro-2,2-dimethyl-1,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 195.04509 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.05237	136.8
[M+Na]+	218.03431	148.0
[M-H]-	194.03781	141.1
[M+NH4]+	213.07891	158.0
[M+K]+	234.00825	145.1
[M+H-H2O]+	178.04235	131.4
[M+HCOO]-	240.04329	153.0
[M+CH3COO]-	254.05894	151.1
[M+Na-2H]-	216.01976	146.8
[M]+	195.04454	140.0
[M]-	195.04564	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe