CID 15453990

196708-35-7

Structural Information

Molecular Formula
C8H6ClNO
SMILES
CC1=CC2=C(C=C1)ON=C2Cl
InChI
InChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,1H3
InChIKey
VBULZBXUOIAIFP-UHFFFAOYSA-N
Compound name
3-chloro-5-methyl-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

167.0138 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.021076 128.2
[M+Na]+ 190.003018 141.3
[M-H]- 166.006524 133.1
[M+NH4]+ 185.047623 150.6
[M+K]+ 205.976958 138.3
[M+H-H2O]+ 150.011060 123.3
[M+HCOO]- 212.012001 148.6
[M+CH3COO]- 226.027651 144.1
[M+Na-2H]- 187.988466 137.4
[M]+ 167.01325142 134.0
[M]- 167.01434858 134.0
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

patents stripe