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

73
Patents

195.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 137.3
[M+Na]+ 218.03431 153.7
[M+NH4]+ 213.07891 149.0
[M+K]+ 234.00825 143.9
[M-H]- 194.03781 141.9
[M+Na-2H]- 216.01976 146.4
[M]+ 195.04454 141.7
[M]- 195.04564 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe