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

79
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 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
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.